4-methyl-2-(5-methylheptan-3-ylamino)pentan-1-ol

C14H31NO — CID 61245372

IUPAC4-methyl-2-(5-methylheptan-3-ylamino)pentan-1-ol
SMILESCCC(C)CC(CC)NC(CO)CC(C)C
InChIInChI=1S/C14H31NO/c1-6-12(5)9-13(7-2)15-14(10-16)8-11(3)4/h11-16H,6-10H2,1-5H3
InChIKeyYWVFCHMRCLOKJH-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.20
Rot. Bonds9

About 4-methyl-2-(5-methylheptan-3-ylamino)pentan-1-ol

4-methyl-2-(5-methylheptan-3-ylamino)pentan-1-ol (PubChem CID 61245372) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 4-methyl-2-(5-methylheptan-3-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-(5-methylheptan-3-ylamino)pentan-1-ol
PubChem CID61245372
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name4-methyl-2-(5-methylheptan-3-ylamino)pentan-1-ol
SMILESCCC(C)CC(CC)NC(CO)CC(C)C
InChIInChI=1S/C14H31NO/c1-6-12(5)9-13(7-2)15-14(10-16)8-11(3)4/h11-16H,6-10H2,1-5H3
InChIKeyYWVFCHMRCLOKJH-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3R,5S)-5-methylheptan-3-yl]amino]propane-1,3-diol
CID 96980936
(2R)-2-[[(3S)-heptan-3-yl]amino]-4-methylpentan-1-ol
CID 95256865
(2R)-2-(4-methylpentan-2-ylamino)butan-1-ol
CID 103922364
(2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol
CID 28723565
5-methyl-N-propan-2-ylhexan-3-amine
CID 91577659
3-(5-methylheptan-3-ylamino)-2-methylsulfanylbutan-1-ol
CID 115722535
4-methyl-1-(5-methylheptan-3-ylamino)pentan-2-ol
CID 115714800
2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
CID 61246170
(4S)-2,4-dimethylhexane
CID 22810193
5-methyl-N-pent-1-yn-3-ylheptan-3-amine
CID 106225174
5-methylheptan-3-ylhydrazine
CID 22568052
(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol
CID 55300150

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(5-methylheptan-3-ylamino)pentan-1-ol?
The IUPAC name of 4-methyl-2-(5-methylheptan-3-ylamino)pentan-1-ol (CID 61245372) is 4-methyl-2-(5-methylheptan-3-ylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-2-(5-methylheptan-3-ylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-2-(5-methylheptan-3-ylamino)pentan-1-ol is CCC(C)CC(CC)NC(CO)CC(C)C.
What is the InChIKey of 4-methyl-2-(5-methylheptan-3-ylamino)pentan-1-ol?
The InChIKey is YWVFCHMRCLOKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-6-12(5)9-13(7-2)15-14(10-16)8-11(3)4/h11-16H,6-10H2,1-5H3.
What are the key properties of 4-methyl-2-(5-methylheptan-3-ylamino)pentan-1-ol?
4-methyl-2-(5-methylheptan-3-ylamino)pentan-1-ol has a molecular weight of 229.41 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(5-methylheptan-3-ylamino)pentan-1-ol is sourced from PubChem (CID 61245372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).