2,4-bis[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]-2,3,4-trimethylpentan-3-ol

C22H52N6O5 — CID 58083765

IUPAC2,4-bis[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]-2,3,4-trimethylpentan-3-ol
SMILESCC(C)(OCC(O)CN(CCN)CCN)C(C)(O)C(C)(C)OCC(O)CN(CCN)CCN
InChIInChI=1S/C22H52N6O5/c1-20(2,32-16-18(29)14-27(10-6-23)11-7-24)22(5,31)21(3,4)33-17-19(30)15-28(12-8-25)13-9-26/h18-19,29-31H,6-17,23-26H2,1-5H3
InChIKeyKLTYOGQQKABBHL-UHFFFAOYSA-N
MW480.70 g/mol
LogP-2.51
Rot. Bonds20

About 2,4-bis[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]-2,3,4-trimethylpentan-3-ol

2,4-bis[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]-2,3,4-trimethylpentan-3-ol (PubChem CID 58083765) has the molecular formula C22H52N6O5 and a molecular weight of 480.70 g/mol. Its IUPAC name is 2,4-bis[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]-2,3,4-trimethylpentan-3-ol.

Molecular Properties

Compound Name2,4-bis[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]-2,3,4-trimethylpentan-3-ol
PubChem CID58083765
Molecular FormulaC22H52N6O5
Molecular Weight480.70 g/mol
Exact Mass480.40
IUPAC Name2,4-bis[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]-2,3,4-trimethylpentan-3-ol
SMILESCC(C)(OCC(O)CN(CCN)CCN)C(C)(O)C(C)(C)OCC(O)CN(CCN)CCN
InChIInChI=1S/C22H52N6O5/c1-20(2,32-16-18(29)14-27(10-6-23)11-7-24)22(5,31)21(3,4)33-17-19(30)15-28(12-8-25)13-9-26/h18-19,29-31H,6-17,23-26H2,1-5H3
InChIKeyKLTYOGQQKABBHL-UHFFFAOYSA-N
XLogP-2.51
TPSA189.71 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500480.70
LogP ≤ 5-2.51
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

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Related Compounds

1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 59969212
1-[1-[bis(2-aminoethyl)amino]propan-2-yloxy]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol;methane
CID 159659020
1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 88894374
1-[2-aminoethyl(2-hydroxyethyl)amino]-3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propan-2-ol;1-[bis(2-hydroxyethyl)amino]-3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]propan-2-ol;methane
CID 158405174
(5R)-6-[2-aminoethyl(5,6-dihydroxyhexyl)amino]hexane-1,2,5-triol
CID 169110139
1-[bis(4-aminobutyl)amino]-3-(hydroxymethoxy)propan-2-ol
CID 88912044
1-[2-aminoethyl-[2-hydroxy-3-(3-trihydroxysilylpropoxy)propyl]amino]-3-(3-trihydroxysilylpropoxy)propan-2-ol
CID 58412214
1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol
CID 79661527
1-[2-[2-(2-aminoethylamino)ethylamino]ethyl-[2-[bis[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 88536004
1-[bis(2-aminoethyl)amino]-3-[2,2-bis[[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]methyl]butoxy]propan-2-ol;1-[2,2-bis[[3-[bis[2-(4-methylpentan-2-ylideneamino)ethyl]amino]-2-hydroxypropoxy]methyl]butoxy]-3-[bis[2-(4-methylpentan-2-ylideneamino)ethyl]amino]propan-2-ol
CID 159009092
4-(2-aminoethyl)-4-[diethoxy(methyl)silyl]-1,7-bis(dipropylamino)heptane-2,6-diol
CID 90982027
1-[2-[2-[2-(2-aminoethylamino)ethyl-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]ethyl-[2-hydroxy-3-(3-trimethoxysilylpropoxy)propyl]amino]ethylamino]-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 88536003

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]-2,3,4-trimethylpentan-3-ol?
The IUPAC name of 2,4-bis[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]-2,3,4-trimethylpentan-3-ol (CID 58083765) is 2,4-bis[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]-2,3,4-trimethylpentan-3-ol.
What is the SMILES notation for 2,4-bis[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]-2,3,4-trimethylpentan-3-ol?
The canonical SMILES for 2,4-bis[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]-2,3,4-trimethylpentan-3-ol is CC(C)(OCC(O)CN(CCN)CCN)C(C)(O)C(C)(C)OCC(O)CN(CCN)CCN.
What is the InChIKey of 2,4-bis[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]-2,3,4-trimethylpentan-3-ol?
The InChIKey is KLTYOGQQKABBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H52N6O5/c1-20(2,32-16-18(29)14-27(10-6-23)11-7-24)22(5,31)21(3,4)33-17-19(30)15-28(12-8-25)13-9-26/h18-19,29-31H,6-17,23-26H2,1-5H3.
What are the key properties of 2,4-bis[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]-2,3,4-trimethylpentan-3-ol?
2,4-bis[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]-2,3,4-trimethylpentan-3-ol has a molecular weight of 480.70 g/mol, XLogP of -2.51, 20 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[3-[bis(2-aminoethyl)amino]-2-hydroxypropoxy]-2,3,4-trimethylpentan-3-ol is sourced from PubChem (CID 58083765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).