5-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol

C17H39N3O — CID 106808957

IUPAC5-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCN(CCC)CCN(C)C
InChIInChI=1S/C17H39N3O/c1-6-11-18-17(8-3,16-21)10-9-13-20(12-7-2)15-14-19(4)5/h18,21H,6-16H2,1-5H3
InChIKeyKTMIBPCKBDQCNT-UHFFFAOYSA-N
MW301.52 g/mol
LogP2.18
Rot. Bonds14

About 5-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol

5-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol (PubChem CID 106808957) has the molecular formula C17H39N3O and a molecular weight of 301.52 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol
PubChem CID106808957
Molecular FormulaC17H39N3O
Molecular Weight301.52 g/mol
Exact Mass301.31
IUPAC Name5-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCN(CCC)CCN(C)C
InChIInChI=1S/C17H39N3O/c1-6-11-18-17(8-3,16-21)10-9-13-20(12-7-2)15-14-19(4)5/h18,21H,6-16H2,1-5H3
InChIKeyKTMIBPCKBDQCNT-UHFFFAOYSA-N
XLogP2.18
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(ethylamino)-5-[ethyl(propyl)amino]pentan-1-ol
CID 106809218
5-(dibutylamino)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809152
4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(propylamino)butan-1-ol
CID 64790162
2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol
CID 106808842
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808716
5-[bis(2-methylpropyl)amino]-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809363
5-(N,2-dimethylanilino)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808938
6-(dipropylamino)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796522
5-[cyclopropyl(2-methylpropyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106809449
2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol
CID 106810286
N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine
CID 62436376
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine
CID 55072277

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol (CID 106808957) is 5-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol is CCCNC(CC)(CO)CCCN(CCC)CCN(C)C.
What is the InChIKey of 5-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol?
The InChIKey is KTMIBPCKBDQCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3O/c1-6-11-18-17(8-3,16-21)10-9-13-20(12-7-2)15-14-19(4)5/h18,21H,6-16H2,1-5H3.
What are the key properties of 5-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol?
5-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol has a molecular weight of 301.52 g/mol, XLogP of 2.18, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 106808957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).