N-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride

C12H27ClN2O — CID 120506388

IUPACN-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride
SMILESCCCCC(CC)CC(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-4-6-7-11(5-2)8-12(15)14-10(3)9-13;/h10-11H,4-9,13H2,1-3H3,(H,14,15);1H/t10-,11?;/m0./s1
InChIKeyFQXUPLKZYMSQPU-JMFXEUCVSA-N
MW250.81 g/mol
LogP2.48
Rot. Bonds8

About N-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride (PubChem CID 120506388) has the molecular formula C12H27ClN2O and a molecular weight of 250.81 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride
PubChem CID120506388
Molecular FormulaC12H27ClN2O
Molecular Weight250.81 g/mol
Exact Mass250.18
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride
SMILESCCCCC(CC)CC(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-4-6-7-11(5-2)8-12(15)14-10(3)9-13;/h10-11H,4-9,13H2,1-3H3,(H,14,15);1H/t10-,11?;/m0./s1
InChIKeyFQXUPLKZYMSQPU-JMFXEUCVSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.81
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-ethylheptanoylamino)propanoic acid
CID 119238553
N-(1-aminohexan-2-yl)-3-methylpentanamide
CID 114875681
N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
CID 120504739
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
3-butyl-N-propan-2-yloctanamide
CID 90867024
1-amino-6-ethyl-3-methyldecan-4-one
CID 116594762
N-(2-aminoethyl)-3-ethyloctanamide
CID 88999094
2-N-(2-ethylhexyl)propane-1,2-diamine
CID 57275977
2-ethylhexan-1-amine;dihydrochloride
CID 142641821
N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride
CID 120508848
3-(3-ethylheptanoylamino)-2-methylpropanoic acid
CID 119237585
3-amino-N-heptan-2-ylbutanamide
CID 60836862

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride (CID 120506388) is N-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride is CCCCC(CC)CC(=O)N[C@@H](C)CN.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride?
The InChIKey is FQXUPLKZYMSQPU-JMFXEUCVSA-N. The full InChI is InChI=1S/C12H26N2O.ClH/c1-4-6-7-11(5-2)8-12(15)14-10(3)9-13;/h10-11H,4-9,13H2,1-3H3,(H,14,15);1H/t10-,11?;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride has a molecular weight of 250.81 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride is sourced from PubChem (CID 120506388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).