N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide

C11H21NO — CID 59847881

IUPACN-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC=O
InChIInChI=1S/C11H21NO/c1-8(2)10-5-4-9(3)6-11(10)12-7-13/h7-11H,4-6H2,1-3H3,(H,12,13)/t9-,10+,11+/m1/s1
InChIKeyRLPOXBHXSSVURP-VWYCJHECSA-N
MW183.29 g/mol
LogP2.19
Rot. Bonds3

About N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide

N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide (PubChem CID 59847881) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide.

Molecular Properties

Compound NameN-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
PubChem CID59847881
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC=O
InChIInChI=1S/C11H21NO/c1-8(2)10-5-4-9(3)6-11(10)12-7-13/h7-11H,4-6H2,1-3H3,(H,12,13)/t9-,10+,11+/m1/s1
InChIKeyRLPOXBHXSSVURP-VWYCJHECSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2R)-2-propan-2-ylcyclohexyl]formamide
CID 88958031
N-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide
CID 61383803
5-methyl-2-propan-2-yl-N-(3-propan-2-ylcyclobutyl)cyclohexan-1-amine
CID 103561293
2-methoxy-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide
CID 113225650
N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine
CID 43614944
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103906936
cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine
CID 130962040
5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
CID 43317464
5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine
CID 43710072
3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide
CID 55110853
3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide
CID 113250248

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide?
The IUPAC name of N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide (CID 59847881) is N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide.
What is the SMILES notation for N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide?
The canonical SMILES for N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide is CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC=O.
What is the InChIKey of N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide?
The InChIKey is RLPOXBHXSSVURP-VWYCJHECSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)10-5-4-9(3)6-11(10)12-7-13/h7-11H,4-6H2,1-3H3,(H,12,13)/t9-,10+,11+/m1/s1.
What are the key properties of N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide?
N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide has a molecular weight of 183.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide is sourced from PubChem (CID 59847881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).