(1R,2S,5R)-N-[(2S)-2-amino-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C17H34N2O — CID 126616988

IUPAC(1R,2S,5R)-N-[(2S)-2-amino-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C[C@H](N)CNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C17H34N2O/c1-11(2)8-14(18)10-19-17(20)16-9-13(5)6-7-15(16)12(3)4/h11-16H,6-10,18H2,1-5H3,(H,19,20)/t13-,14+,15+,16-/m1/s1
InChIKeyBHGGWNZRCABPBD-FXUDXRNXSA-N
MW282.47 g/mol
LogP3.18
Rot. Bonds6

About (1R,2S,5R)-N-[(2S)-2-amino-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

(1R,2S,5R)-N-[(2S)-2-amino-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 126616988) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is (1R,2S,5R)-N-[(2S)-2-amino-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,2S,5R)-N-[(2S)-2-amino-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID126616988
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name(1R,2S,5R)-N-[(2S)-2-amino-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)C[C@H](N)CNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C17H34N2O/c1-11(2)8-14(18)10-19-17(20)16-9-13(5)6-7-15(16)12(3)4/h11-16H,6-10,18H2,1-5H3,(H,19,20)/t13-,14+,15+,16-/m1/s1
InChIKeyBHGGWNZRCABPBD-FXUDXRNXSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-N-[(2S)-2-amino-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of (1R,2S,5R)-N-[(2S)-2-amino-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 126616988) is (1R,2S,5R)-N-[(2S)-2-amino-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R,2S,5R)-N-[(2S)-2-amino-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for (1R,2S,5R)-N-[(2S)-2-amino-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC(C)C[C@H](N)CNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (1R,2S,5R)-N-[(2S)-2-amino-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is BHGGWNZRCABPBD-FXUDXRNXSA-N. The full InChI is InChI=1S/C17H34N2O/c1-11(2)8-14(18)10-19-17(20)16-9-13(5)6-7-15(16)12(3)4/h11-16H,6-10,18H2,1-5H3,(H,19,20)/t13-,14+,15+,16-/m1/s1.
What are the key properties of (1R,2S,5R)-N-[(2S)-2-amino-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
(1R,2S,5R)-N-[(2S)-2-amino-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 282.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-N-[(2S)-2-amino-4-methylpentyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 126616988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).