N-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine

C12H25NO — CID 106662856

IUPACN-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine
SMILESCOC(C)CNC1CC(C)(C)CC1C
InChIInChI=1S/C12H25NO/c1-9-6-12(3,4)7-11(9)13-8-10(2)14-5/h9-11,13H,6-8H2,1-5H3
InChIKeyVSHNZORJXFHGHE-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds4

About N-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine

N-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine (PubChem CID 106662856) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine
PubChem CID106662856
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine
SMILESCOC(C)CNC1CC(C)(C)CC1C
InChIInChI=1S/C12H25NO/c1-9-6-12(3,4)7-11(9)13-8-10(2)14-5/h9-11,13H,6-8H2,1-5H3
InChIKeyVSHNZORJXFHGHE-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 106661565
N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide
CID 99838091
N'-methyl-N'-propan-2-yl-N-(2,4,4-trimethylcyclopentyl)butane-1,4-diamine
CID 106662443
2,4,4-trimethyl-N-[3-(2-methylpropoxy)propyl]cyclopentan-1-amine
CID 106661703
2,4,4-trimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)cyclopentan-1-amine
CID 106661695
2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine
CID 106662465
2,4,4-trimethyl-N-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 106662513
3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid
CID 106661765
6-[(2,4,4-trimethylcyclopentyl)amino]hexan-1-ol
CID 106813241
N-[(1-cyclopropylcyclopropyl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106813224
N-[(3-methoxyoxolan-3-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662772
4-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]pentanoic acid
CID 106662419

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine?
The IUPAC name of N-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine (CID 106662856) is N-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine.
What is the SMILES notation for N-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine?
The canonical SMILES for N-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine is COC(C)CNC1CC(C)(C)CC1C.
What is the InChIKey of N-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine?
The InChIKey is VSHNZORJXFHGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9-6-12(3,4)7-11(9)13-8-10(2)14-5/h9-11,13H,6-8H2,1-5H3.
What are the key properties of N-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine?
N-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-2,4,4-trimethylcyclopentan-1-amine is sourced from PubChem (CID 106662856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).