2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol

C16H34N2O2 — CID 64791814

IUPAC2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN(C)CC1CCCOC1
InChIInChI=1S/C16H34N2O2/c1-4-9-17-16(2,14-19)8-6-10-18(3)12-15-7-5-11-20-13-15/h15,17,19H,4-14H2,1-3H3
InChIKeyLYZYGWXLOPJZMT-UHFFFAOYSA-N
MW286.46 g/mol
LogP1.88
Rot. Bonds10

About 2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol

2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol (PubChem CID 64791814) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol
PubChem CID64791814
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN(C)CC1CCCOC1
InChIInChI=1S/C16H34N2O2/c1-4-9-17-16(2,14-19)8-6-10-18(3)12-15-7-5-11-20-13-15/h15,17,19H,4-14H2,1-3H3
InChIKeyLYZYGWXLOPJZMT-UHFFFAOYSA-N
XLogP1.88
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentan-1-ol
CID 64787636
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine
CID 63726668
2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)pentan-1-ol
CID 64791640
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine
CID 63705816
N-tert-butyl-N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63707835
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63726664
methyl 2-(ethylamino)-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
CID 63711958
2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol
CID 64791608
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808716
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol
CID 79312291
2-amino-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanamide
CID 55226248
N-butyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63708148

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol?
The IUPAC name of 2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol (CID 64791814) is 2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CCCN(C)CC1CCCOC1.
What is the InChIKey of 2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol?
The InChIKey is LYZYGWXLOPJZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-4-9-17-16(2,14-19)8-6-10-18(3)12-15-7-5-11-20-13-15/h15,17,19H,4-14H2,1-3H3.
What are the key properties of 2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol?
2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol has a molecular weight of 286.46 g/mol, XLogP of 1.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64791814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).