4,4-dimethyl-N-propan-2-ylcycloheptan-1-amine

C12H25N — CID 65082286

IUPAC4,4-dimethyl-N-propan-2-ylcycloheptan-1-amine
SMILESCC(C)NC1CCCC(C)(C)CC1
InChIInChI=1S/C12H25N/c1-10(2)13-11-6-5-8-12(3,4)9-7-11/h10-11,13H,5-9H2,1-4H3
InChIKeyWVVLCTICLVMFDP-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.34
Rot. Bonds2

About 4,4-dimethyl-N-propan-2-ylcycloheptan-1-amine

4,4-dimethyl-N-propan-2-ylcycloheptan-1-amine (PubChem CID 65082286) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 4,4-dimethyl-N-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-propan-2-ylcycloheptan-1-amine
PubChem CID65082286
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name4,4-dimethyl-N-propan-2-ylcycloheptan-1-amine
SMILESCC(C)NC1CCCC(C)(C)CC1
InChIInChI=1S/C12H25N/c1-10(2)13-11-6-5-8-12(3,4)9-7-11/h10-11,13H,5-9H2,1-4H3
InChIKeyWVVLCTICLVMFDP-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-N-propan-2-ylcycloheptan-1-amine (CID 65082286) is 4,4-dimethyl-N-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-propan-2-ylcycloheptan-1-amine is CC(C)NC1CCCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-N-propan-2-ylcycloheptan-1-amine?
The InChIKey is WVVLCTICLVMFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)13-11-6-5-8-12(3,4)9-7-11/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 4,4-dimethyl-N-propan-2-ylcycloheptan-1-amine?
4,4-dimethyl-N-propan-2-ylcycloheptan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65082286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).