2-(heptan-4-ylamino)-3-methylpentan-1-ol

C13H29NO — CID 115677280

IUPAC2-(heptan-4-ylamino)-3-methylpentan-1-ol
SMILESCCCC(CCC)NC(CO)C(C)CC
InChIInChI=1S/C13H29NO/c1-5-8-12(9-6-2)14-13(10-15)11(4)7-3/h11-15H,5-10H2,1-4H3
InChIKeyJZAGTMGAAZINMZ-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.95
Rot. Bonds9

About 2-(heptan-4-ylamino)-3-methylpentan-1-ol

2-(heptan-4-ylamino)-3-methylpentan-1-ol (PubChem CID 115677280) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-(heptan-4-ylamino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name2-(heptan-4-ylamino)-3-methylpentan-1-ol
PubChem CID115677280
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-(heptan-4-ylamino)-3-methylpentan-1-ol
SMILESCCCC(CCC)NC(CO)C(C)CC
InChIInChI=1S/C13H29NO/c1-5-8-12(9-6-2)14-13(10-15)11(4)7-3/h11-15H,5-10H2,1-4H3
InChIKeyJZAGTMGAAZINMZ-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(pentan-2-ylamino)pentan-1-ol
CID 115891612
2-(1-methoxyhexan-2-ylamino)-3-methylpentan-1-ol
CID 115891633
2-(1-ethylsulfonylpropan-2-ylamino)-3-methylpentan-1-ol
CID 115901377
N-butan-2-ylheptan-4-amine
CID 43190303
3-methyl-2-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
CID 115901375
N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide
CID 11839005
2-[[(2S,3R)-3-methylpentan-2-yl]amino]propane-1,3-diol
CID 96980583
(1-hydroxy-3-methylpentan-2-yl)carbamic acid
CID 22242867
2-N-heptan-4-yl-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476883
(2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol
CID 28724744
(2R)-2-[[(3R)-2-methylpentan-3-yl]amino]butan-1-ol
CID 93285453
methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]amino]propanoate
CID 90207576

Frequently Asked Questions

What is the IUPAC name of 2-(heptan-4-ylamino)-3-methylpentan-1-ol?
The IUPAC name of 2-(heptan-4-ylamino)-3-methylpentan-1-ol (CID 115677280) is 2-(heptan-4-ylamino)-3-methylpentan-1-ol.
What is the SMILES notation for 2-(heptan-4-ylamino)-3-methylpentan-1-ol?
The canonical SMILES for 2-(heptan-4-ylamino)-3-methylpentan-1-ol is CCCC(CCC)NC(CO)C(C)CC.
What is the InChIKey of 2-(heptan-4-ylamino)-3-methylpentan-1-ol?
The InChIKey is JZAGTMGAAZINMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-5-8-12(9-6-2)14-13(10-15)11(4)7-3/h11-15H,5-10H2,1-4H3.
What are the key properties of 2-(heptan-4-ylamino)-3-methylpentan-1-ol?
2-(heptan-4-ylamino)-3-methylpentan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptan-4-ylamino)-3-methylpentan-1-ol is sourced from PubChem (CID 115677280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).