3,3-dimethylcyclohexan-1-amine;formamide

C9H20N2O — CID 174943112

IUPAC3,3-dimethylcyclohexan-1-amine;formamide
SMILESCC1(C)CCCC(N)C1.NC=O
InChIInChI=1S/C8H17N.CH3NO/c1-8(2)5-3-4-7(9)6-8;2-1-3/h7H,3-6,9H2,1-2H3;1H,(H2,2,3)
InChIKeyZEGZILBAHZMCOZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.02
Rot. Bonds

About 3,3-dimethylcyclohexan-1-amine;formamide

3,3-dimethylcyclohexan-1-amine;formamide (PubChem CID 174943112) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3,3-dimethylcyclohexan-1-amine;formamide.

Molecular Properties

Compound Name3,3-dimethylcyclohexan-1-amine;formamide
PubChem CID174943112
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3,3-dimethylcyclohexan-1-amine;formamide
SMILESCC1(C)CCCC(N)C1.NC=O
InChIInChI=1S/C8H17N.CH3NO/c1-8(2)5-3-4-7(9)6-8;2-1-3/h7H,3-6,9H2,1-2H3;1H,(H2,2,3)
InChIKeyZEGZILBAHZMCOZ-UHFFFAOYSA-N
XLogP1.02
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,6-trimethylcyclononan-1-amine
CID 170122621
3-iodo-3-methylcyclohexan-1-amine
CID 156750072
cyclopropanamine;formamide
CID 174711245
1-(3,3-dimethylcyclohexyl)azetidin-3-amine
CID 65244920
3-methyl-3-propan-2-ylcyclohexan-1-amine
CID 19888682
hexanediamide;1-methylcyclohexane-1,3-diamine
CID 118657914
acetaldehyde;1-(3,3-dimethylcyclohexyl)ethanone
CID 21325815
3,3-dimethylcyclobutan-1-amine
CID 14988402
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
CID 158949227
methanamine;3,3,5,5-tetramethylcyclohexan-1-amine
CID 144937485
(3,3-dimethylcyclohexyl)methanol
CID 14034040
cobalt;1,1,3-trimethylcyclohexane
CID 70372264

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylcyclohexan-1-amine;formamide?
The IUPAC name of 3,3-dimethylcyclohexan-1-amine;formamide (CID 174943112) is 3,3-dimethylcyclohexan-1-amine;formamide.
What is the SMILES notation for 3,3-dimethylcyclohexan-1-amine;formamide?
The canonical SMILES for 3,3-dimethylcyclohexan-1-amine;formamide is CC1(C)CCCC(N)C1.NC=O.
What is the InChIKey of 3,3-dimethylcyclohexan-1-amine;formamide?
The InChIKey is ZEGZILBAHZMCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.CH3NO/c1-8(2)5-3-4-7(9)6-8;2-1-3/h7H,3-6,9H2,1-2H3;1H,(H2,2,3).
What are the key properties of 3,3-dimethylcyclohexan-1-amine;formamide?
3,3-dimethylcyclohexan-1-amine;formamide has a molecular weight of 172.27 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylcyclohexan-1-amine;formamide is sourced from PubChem (CID 174943112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).