N-(2,3,5-trimethylhexyl)cyclopropanamine

C12H25N — CID 81016378

IUPACN-(2,3,5-trimethylhexyl)cyclopropanamine
SMILESCC(C)CC(C)C(C)CNC1CC1
InChIInChI=1S/C12H25N/c1-9(2)7-10(3)11(4)8-13-12-5-6-12/h9-13H,5-8H2,1-4H3
InChIKeyONMVOWCINKFNLL-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.06
Rot. Bonds6

About N-(2,3,5-trimethylhexyl)cyclopropanamine

N-(2,3,5-trimethylhexyl)cyclopropanamine (PubChem CID 81016378) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-(2,3,5-trimethylhexyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,3,5-trimethylhexyl)cyclopropanamine
PubChem CID81016378
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-(2,3,5-trimethylhexyl)cyclopropanamine
SMILESCC(C)CC(C)C(C)CNC1CC1
InChIInChI=1S/C12H25N/c1-9(2)7-10(3)11(4)8-13-12-5-6-12/h9-13H,5-8H2,1-4H3
InChIKeyONMVOWCINKFNLL-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine
CID 62530308
N-(2,3,5-trimethylhex-5-enyl)cyclopropanamine
CID 81016607
N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine
CID 114201229
N-(2-cyclohexyl-4-methylpentyl)cyclopropanamine
CID 82931479
N-[2-(2-methylpropyl)undecyl]cyclopropanamine
CID 63497802
N-[(2S)-2,3-dimethylbutyl]cyclopentanamine
CID 59085010
4-(2-methylpropylamino)cyclohexan-1-ol
CID 8024862
N-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine
CID 81015534
N-(2-cyclopentyl-4,6-dimethylheptyl)cyclopropanamine
CID 114201281
(2S)-1-(cyclopropylamino)propan-2-ol
CID 39234971
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
N-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine
CID 81015192

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5-trimethylhexyl)cyclopropanamine?
The IUPAC name of N-(2,3,5-trimethylhexyl)cyclopropanamine (CID 81016378) is N-(2,3,5-trimethylhexyl)cyclopropanamine.
What is the SMILES notation for N-(2,3,5-trimethylhexyl)cyclopropanamine?
The canonical SMILES for N-(2,3,5-trimethylhexyl)cyclopropanamine is CC(C)CC(C)C(C)CNC1CC1.
What is the InChIKey of N-(2,3,5-trimethylhexyl)cyclopropanamine?
The InChIKey is ONMVOWCINKFNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)7-10(3)11(4)8-13-12-5-6-12/h9-13H,5-8H2,1-4H3.
What are the key properties of N-(2,3,5-trimethylhexyl)cyclopropanamine?
N-(2,3,5-trimethylhexyl)cyclopropanamine has a molecular weight of 183.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5-trimethylhexyl)cyclopropanamine is sourced from PubChem (CID 81016378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).