1-methyl-N-propan-2-ylcycloheptan-1-amine

C11H23N — CID 59833055

IUPAC1-methyl-N-propan-2-ylcycloheptan-1-amine
SMILESCC(C)NC1(C)CCCCCC1
InChIInChI=1S/C11H23N/c1-10(2)12-11(3)8-6-4-5-7-9-11/h10,12H,4-9H2,1-3H3
InChIKeyJORPWJJBEMIGSV-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.10
Rot. Bonds2

About 1-methyl-N-propan-2-ylcycloheptan-1-amine

1-methyl-N-propan-2-ylcycloheptan-1-amine (PubChem CID 59833055) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1-methyl-N-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-methyl-N-propan-2-ylcycloheptan-1-amine
PubChem CID59833055
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1-methyl-N-propan-2-ylcycloheptan-1-amine
SMILESCC(C)NC1(C)CCCCCC1
InChIInChI=1S/C11H23N/c1-10(2)12-11(3)8-6-4-5-7-9-11/h10,12H,4-9H2,1-3H3
InChIKeyJORPWJJBEMIGSV-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-methyl-N-propan-2-ylcycloheptan-1-amine (CID 59833055) is 1-methyl-N-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-methyl-N-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-methyl-N-propan-2-ylcycloheptan-1-amine is CC(C)NC1(C)CCCCCC1.
What is the InChIKey of 1-methyl-N-propan-2-ylcycloheptan-1-amine?
The InChIKey is JORPWJJBEMIGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-10(2)12-11(3)8-6-4-5-7-9-11/h10,12H,4-9H2,1-3H3.
What are the key properties of 1-methyl-N-propan-2-ylcycloheptan-1-amine?
1-methyl-N-propan-2-ylcycloheptan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 59833055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).