N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide

C9H17NO — CID 129431064

IUPACN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC=O
InChIInChI=1S/C9H17NO/c1-7-4-3-5-9(8(7)2)10-6-11/h6-9H,3-5H2,1-2H3,(H,10,11)/t7-,8+,9-/m1/s1
InChIKeyRHTIPPUDAZPLQO-HRDYMLBCSA-N
MW155.24 g/mol
LogP1.56
Rot. Bonds2

About N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide

N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide (PubChem CID 129431064) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide
PubChem CID129431064
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC=O
InChIInChI=1S/C9H17NO/c1-7-4-3-5-9(8(7)2)10-6-11/h6-9H,3-5H2,1-2H3,(H,10,11)/t7-,8+,9-/m1/s1
InChIKeyRHTIPPUDAZPLQO-HRDYMLBCSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.56
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

(1R,2S,3R)-N,2,3-trimethylcyclohexan-1-amine
CID 28584708
N-(2,3-dimethylcyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 64909530
N-[2-(dimethylamino)cyclopentyl]formamide
CID 23349737
N-[(2R,3S)-2-methyloxan-3-yl]formamide
CID 129044544
2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine
CID 60688769
2-[(2,3-dimethylcyclohexyl)amino]-2-oxoacetic acid
CID 43445011
N-(2,3-dimethylcyclohexyl)-2-(ethylamino)ethanesulfonamide
CID 54973707
N'-(2,3-dimethylcyclohexyl)methanediamine
CID 143582027
N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide
CID 106060304
2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 103605044
N-[(1R,2R)-2-propan-2-ylcyclohexyl]formamide
CID 88958031
bis(cis-(1R,3S)-1,2,3-trimethylcyclohexane);ethane;trans-(1R,3R)-1,2,3-trimethylcyclohexane;trans-(1S,3S)-1,2,3-trimethylcyclohexane
CID 159423261

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide?
The IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide (CID 129431064) is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide.
What is the SMILES notation for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide?
The canonical SMILES for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide is C[C@H]1[C@H](C)CCC[C@H]1NC=O.
What is the InChIKey of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide?
The InChIKey is RHTIPPUDAZPLQO-HRDYMLBCSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-4-3-5-9(8(7)2)10-6-11/h6-9H,3-5H2,1-2H3,(H,10,11)/t7-,8+,9-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide?
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide has a molecular weight of 155.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]formamide is sourced from PubChem (CID 129431064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).