1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine

C11H24N2 — CID 65085240

IUPAC1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine
SMILESCC1CCCC(CN)(N(C)C)CC1
InChIInChI=1S/C11H24N2/c1-10-5-4-7-11(9-12,8-6-10)13(2)3/h10H,4-9,12H2,1-3H3
InChIKeyQCDLBEOCAYFPHQ-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.85
Rot. Bonds2

About 1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine

1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine (PubChem CID 65085240) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine
PubChem CID65085240
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine
SMILESCC1CCCC(CN)(N(C)C)CC1
InChIInChI=1S/C11H24N2/c1-10-5-4-7-11(9-12,8-6-10)13(2)3/h10H,4-9,12H2,1-3H3
InChIKeyQCDLBEOCAYFPHQ-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine (CID 65085240) is 1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine is CC1CCCC(CN)(N(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine?
The InChIKey is QCDLBEOCAYFPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-10-5-4-7-11(9-12,8-6-10)13(2)3/h10H,4-9,12H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine?
1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine has a molecular weight of 184.33 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,N,4-trimethylcycloheptan-1-amine is sourced from PubChem (CID 65085240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).