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

C11H23N — CID 65086761

IUPAC1-methyl-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(C)(N)CC1
InChIInChI=1S/C11H23N/c1-9(2)10-5-4-7-11(3,12)8-6-10/h9-10H,4-8,12H2,1-3H3
InChIKeyLUWQNHGTYMEDRM-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.94
Rot. Bonds1

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

1-methyl-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65086761) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylcycloheptan-1-amine
PubChem CID65086761
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1-methyl-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(C)(N)CC1
InChIInChI=1S/C11H23N/c1-9(2)10-5-4-7-11(3,12)8-6-10/h9-10H,4-8,12H2,1-3H3
InChIKeyLUWQNHGTYMEDRM-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-methyl-4-propan-2-ylcycloheptan-1-amine (CID 65086761) is 1-methyl-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-methyl-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-methyl-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(C)(N)CC1.
What is the InChIKey of 1-methyl-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is LUWQNHGTYMEDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-9(2)10-5-4-7-11(3,12)8-6-10/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-ylcycloheptan-1-amine?
1-methyl-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65086761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).