N-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]formamide

C11H22N2O — CID 89003092

IUPACN-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]formamide
SMILESCC1(C)CC(NC=O)CC(C)(CN)C1
InChIInChI=1S/C11H22N2O/c1-10(2)4-9(13-8-14)5-11(3,6-10)7-12/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyTXWIOVPANBTJJK-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.28
Rot. Bonds3

About N-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]formamide

N-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]formamide (PubChem CID 89003092) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]formamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]formamide
PubChem CID89003092
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]formamide
SMILESCC1(C)CC(NC=O)CC(C)(CN)C1
InChIInChI=1S/C11H22N2O/c1-10(2)4-9(13-8-14)5-11(3,6-10)7-12/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyTXWIOVPANBTJJK-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]formamide?
The IUPAC name of N-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]formamide (CID 89003092) is N-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]formamide.
What is the SMILES notation for N-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]formamide?
The canonical SMILES for N-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]formamide is CC1(C)CC(NC=O)CC(C)(CN)C1.
What is the InChIKey of N-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]formamide?
The InChIKey is TXWIOVPANBTJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(2)4-9(13-8-14)5-11(3,6-10)7-12/h8-9H,4-7,12H2,1-3H3,(H,13,14).
What are the key properties of N-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]formamide?
N-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]formamide has a molecular weight of 198.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]formamide is sourced from PubChem (CID 89003092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).