2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol

C16H36N2O — CID 79490308

IUPAC2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol
SMILESCCC(CC)N(CC(C)C)CC(C)(CO)NC(C)C
InChIInChI=1S/C16H36N2O/c1-8-15(9-2)18(10-13(3)4)11-16(7,12-19)17-14(5)6/h13-15,17,19H,8-12H2,1-7H3
InChIKeySATLITFNNDMRNT-UHFFFAOYSA-N
MW272.48 g/mol
LogP2.88
Rot. Bonds10

About 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol

2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol (PubChem CID 79490308) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol
PubChem CID79490308
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol
SMILESCCC(CC)N(CC(C)C)CC(C)(CO)NC(C)C
InChIInChI=1S/C16H36N2O/c1-8-15(9-2)18(10-13(3)4)11-16(7,12-19)17-14(5)6/h13-15,17,19H,8-12H2,1-7H3
InChIKeySATLITFNNDMRNT-UHFFFAOYSA-N
XLogP2.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl(2-methylpropyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64798699
3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64827129
2-methyl-4-[methyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64795544
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal
CID 79491619
3-[cyclopropyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64798308
2-(cyclopropylamino)-2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid
CID 79489042
2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine
CID 79491872
4-[ethyl(propyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64798523
(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
CID 103935251
N-ethyl-2-methyl-N'-(2-methylpropyl)-N'-pentan-3-yl-2-propylpropane-1,3-diamine
CID 79490735
2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64826225

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol (CID 79490308) is 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol is CCC(CC)N(CC(C)C)CC(C)(CO)NC(C)C.
What is the InChIKey of 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is SATLITFNNDMRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-8-15(9-2)18(10-13(3)4)11-16(7,12-19)17-14(5)6/h13-15,17,19H,8-12H2,1-7H3.
What are the key properties of 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol?
2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 272.48 g/mol, XLogP of 2.88, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 79490308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).