(4,4-dimethyl-1-propylcyclohexyl)methanamine

C12H25N — CID 65389394

IUPAC(4,4-dimethyl-1-propylcyclohexyl)methanamine
SMILESCCCC1(CN)CCC(C)(C)CC1
InChIInChI=1S/C12H25N/c1-4-5-12(10-13)8-6-11(2,3)7-9-12/h4-10,13H2,1-3H3
InChIKeyHWTMKZPNXXNDMD-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.33
Rot. Bonds3

About (4,4-dimethyl-1-propylcyclohexyl)methanamine

(4,4-dimethyl-1-propylcyclohexyl)methanamine (PubChem CID 65389394) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (4,4-dimethyl-1-propylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4,4-dimethyl-1-propylcyclohexyl)methanamine
PubChem CID65389394
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(4,4-dimethyl-1-propylcyclohexyl)methanamine
SMILESCCCC1(CN)CCC(C)(C)CC1
InChIInChI=1S/C12H25N/c1-4-5-12(10-13)8-6-11(2,3)7-9-12/h4-10,13H2,1-3H3
InChIKeyHWTMKZPNXXNDMD-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-fluoro-3-methyl-1-propylcyclobutyl)methanamine
CID 115012495
[1-(2-propylsulfanylethyl)cyclopropyl]methanamine
CID 84766548
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid
CID 10776157
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol
CID 79124995
[1-(propoxymethyl)cyclopropyl]methanamine
CID 84762802
(1-pentylcyclopentyl)methanamine
CID 62725889
[4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine
CID 65391768
[1-(2-propoxyethyl)cyclooctyl]methanamine
CID 106459345
4,4-dimethyl-1-propylcycloheptan-1-amine
CID 65084317
(1-propylcyclopropyl)methanol
CID 66026334
ethane;1-ethyl-1-propylcyclopropane;propane
CID 177054904
methyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetate
CID 66098304

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-1-propylcyclohexyl)methanamine?
The IUPAC name of (4,4-dimethyl-1-propylcyclohexyl)methanamine (CID 65389394) is (4,4-dimethyl-1-propylcyclohexyl)methanamine.
What is the SMILES notation for (4,4-dimethyl-1-propylcyclohexyl)methanamine?
The canonical SMILES for (4,4-dimethyl-1-propylcyclohexyl)methanamine is CCCC1(CN)CCC(C)(C)CC1.
What is the InChIKey of (4,4-dimethyl-1-propylcyclohexyl)methanamine?
The InChIKey is HWTMKZPNXXNDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-5-12(10-13)8-6-11(2,3)7-9-12/h4-10,13H2,1-3H3.
What are the key properties of (4,4-dimethyl-1-propylcyclohexyl)methanamine?
(4,4-dimethyl-1-propylcyclohexyl)methanamine has a molecular weight of 183.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-1-propylcyclohexyl)methanamine is sourced from PubChem (CID 65389394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).