N-(1-amino-4-methylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

C17H32N2O — CID 106356963

IUPACN-(1-amino-4-methylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCC(C)C(CCN)NC(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C17H32N2O/c1-12(2)16(9-10-18)19-17(20)15-8-7-13-5-3-4-6-14(13)11-15/h12-16H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyZRSFIAWIJPNOMG-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.08
Rot. Bonds5

About N-(1-amino-4-methylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

N-(1-amino-4-methylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 106356963) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID106356963
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCC(C)C(CCN)NC(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C17H32N2O/c1-12(2)16(9-10-18)19-17(20)15-8-7-13-5-3-4-6-14(13)11-15/h12-16H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyZRSFIAWIJPNOMG-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-3-yl)-1,1-dioxothiane-2-carboxamide
CID 114178123
N-(1-hydroxypentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 115767243
N-(1-amino-4-methylpentan-3-yl)-2-methylcyclopentane-1-carboxamide
CID 106356810
N-(2-hydroxy-3-methylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 109478559
(2R)-2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-4-methylsulfanylbutanoic acid
CID 104906147
N-(1-bromo-4-methylpentan-3-yl)cyclobutanecarboxamide
CID 106355279
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopentanecarboxamide
CID 79247248
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methylpentan-1-one
CID 107891225
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533750
N-(1-iodo-3-methylbutan-2-yl)cyclopentanecarboxamide
CID 107860157
N-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 107157845
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid
CID 106107724

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 106356963) is N-(1-amino-4-methylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is CC(C)C(CCN)NC(=O)C1CCC2CCCCC2C1.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is ZRSFIAWIJPNOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-12(2)16(9-10-18)19-17(20)15-8-7-13-5-3-4-6-14(13)11-15/h12-16H,3-11,18H2,1-2H3,(H,19,20).
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
N-(1-amino-4-methylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 106356963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).