4,4-dimethyl-1-propylcycloheptan-1-amine

C12H25N — CID 65084317

IUPAC4,4-dimethyl-1-propylcycloheptan-1-amine
SMILESCCCC1(N)CCCC(C)(C)CC1
InChIInChI=1S/C12H25N/c1-4-6-12(13)8-5-7-11(2,3)9-10-12/h4-10,13H2,1-3H3
InChIKeyWXHVVUBUXWZNRV-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.47
Rot. Bonds2

About 4,4-dimethyl-1-propylcycloheptan-1-amine

4,4-dimethyl-1-propylcycloheptan-1-amine (PubChem CID 65084317) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 4,4-dimethyl-1-propylcycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-propylcycloheptan-1-amine
PubChem CID65084317
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name4,4-dimethyl-1-propylcycloheptan-1-amine
SMILESCCCC1(N)CCCC(C)(C)CC1
InChIInChI=1S/C12H25N/c1-4-6-12(13)8-5-7-11(2,3)9-10-12/h4-10,13H2,1-3H3
InChIKeyWXHVVUBUXWZNRV-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;1-propylcyclopentan-1-amine
CID 118268242
4,4-dimethyl-1-(2-methylsulfonylethyl)cycloheptan-1-amine
CID 65083929
1,4-dibutylcyclohexane-1,4-diamine
CID 139996761
1-butylcyclohexan-1-amine
CID 13182498
1-pentylcyclopropan-1-amine
CID 66023547
1-butylcyclohexan-1-amine;hydrochloride
CID 45264189
1-decylcyclopropan-1-amine
CID 66023987
1-[2-(butylamino)ethyl]cyclopentan-1-amine
CID 64679501
1-dodecyl-3,3-dimethylcyclopentan-1-amine
CID 80705069
1-heptylcycloheptan-1-amine
CID 63407607
(4,4-dimethyl-1-propylcyclohexyl)methanamine
CID 65389394
1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083823

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-propylcycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-1-propylcycloheptan-1-amine (CID 65084317) is 4,4-dimethyl-1-propylcycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-propylcycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-propylcycloheptan-1-amine is CCCC1(N)CCCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-1-propylcycloheptan-1-amine?
The InChIKey is WXHVVUBUXWZNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-6-12(13)8-5-7-11(2,3)9-10-12/h4-10,13H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-propylcycloheptan-1-amine?
4,4-dimethyl-1-propylcycloheptan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-propylcycloheptan-1-amine is sourced from PubChem (CID 65084317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).