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

C11H23N — CID 65081158

IUPAC4-methyl-N-propan-2-ylcycloheptan-1-amine
SMILESCC1CCCC(NC(C)C)CC1
InChIInChI=1S/C11H23N/c1-9(2)12-11-6-4-5-10(3)7-8-11/h9-12H,4-8H2,1-3H3
InChIKeyUYFYCDMKVFHHQR-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.95
Rot. Bonds2

About 4-methyl-N-propan-2-ylcycloheptan-1-amine

4-methyl-N-propan-2-ylcycloheptan-1-amine (PubChem CID 65081158) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 4-methyl-N-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name4-methyl-N-propan-2-ylcycloheptan-1-amine
PubChem CID65081158
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name4-methyl-N-propan-2-ylcycloheptan-1-amine
SMILESCC1CCCC(NC(C)C)CC1
InChIInChI=1S/C11H23N/c1-9(2)12-11-6-4-5-10(3)7-8-11/h9-12H,4-8H2,1-3H3
InChIKeyUYFYCDMKVFHHQR-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 4-methyl-N-propan-2-ylcycloheptan-1-amine (CID 65081158) is 4-methyl-N-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 4-methyl-N-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 4-methyl-N-propan-2-ylcycloheptan-1-amine is CC1CCCC(NC(C)C)CC1.
What is the InChIKey of 4-methyl-N-propan-2-ylcycloheptan-1-amine?
The InChIKey is UYFYCDMKVFHHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-9(2)12-11-6-4-5-10(3)7-8-11/h9-12H,4-8H2,1-3H3.
What are the key properties of 4-methyl-N-propan-2-ylcycloheptan-1-amine?
4-methyl-N-propan-2-ylcycloheptan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65081158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).