4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol

C14H31NO — CID 115895057

IUPAC4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol
SMILESCC(C)CCC(C)NC(CO)CC(C)(C)C
InChIInChI=1S/C14H31NO/c1-11(2)7-8-12(3)15-13(10-16)9-14(4,5)6/h11-13,15-16H,7-10H2,1-6H3
InChIKeyKLCRXRUGJQTGFL-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.20
Rot. Bonds7

About 4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol

4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol (PubChem CID 115895057) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol
PubChem CID115895057
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol
SMILESCC(C)CCC(C)NC(CO)CC(C)(C)C
InChIInChI=1S/C14H31NO/c1-11(2)7-8-12(3)15-13(10-16)9-14(4,5)6/h11-13,15-16H,7-10H2,1-6H3
InChIKeyKLCRXRUGJQTGFL-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895063
2-(4-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895048
2-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol
CID 115895052
2-(hexan-3-ylamino)-4,4-dimethylpentan-1-ol
CID 115906532
2-(3-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895065
3-(5-methylhexan-2-ylamino)butan-1-ol
CID 81338703
(2S)-3-methyl-2-(5-methylhexan-2-ylamino)butan-1-ol
CID 79254000
2-methyl-3-(5-methylhexan-2-ylamino)butan-2-ol
CID 65332732
2-(1-cyclopentylethylamino)-4,4-dimethylpentan-1-ol
CID 115895050
N-(5-methylhexan-2-yl)heptan-4-amine
CID 43097819
(2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol
CID 29014802
2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol
CID 115705335

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol (CID 115895057) is 4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol is CC(C)CCC(C)NC(CO)CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol?
The InChIKey is KLCRXRUGJQTGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-11(2)7-8-12(3)15-13(10-16)9-14(4,5)6/h11-13,15-16H,7-10H2,1-6H3.
What are the key properties of 4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol?
4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol has a molecular weight of 229.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(5-methylhexan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 115895057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).