N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine

C13H27N — CID 62530308

IUPACN-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine
SMILESCC(C)CC(CNC1CC1)CC(C)C
InChIInChI=1S/C13H27N/c1-10(2)7-12(8-11(3)4)9-14-13-5-6-13/h10-14H,5-9H2,1-4H3
InChIKeyZMWQJZCZOYGDAN-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds7

About N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine

N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine (PubChem CID 62530308) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine
PubChem CID62530308
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine
SMILESCC(C)CC(CNC1CC1)CC(C)C
InChIInChI=1S/C13H27N/c1-10(2)7-12(8-11(3)4)9-14-13-5-6-13/h10-14H,5-9H2,1-4H3
InChIKeyZMWQJZCZOYGDAN-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine
CID 114201229
N-[2-(2-methylpropyl)undecyl]cyclopropanamine
CID 63497802
N-(2,3,5-trimethylhexyl)cyclopropanamine
CID 81016378
N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine
CID 55082814
N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine
CID 103412314
3-[(cycloheptylamino)methyl]-5-methylhexanoic acid
CID 82932880
N-(2-cyclohexyl-4-methylpentyl)cyclopropanamine
CID 82931479
N-[4-methyl-2-(2-phenylsulfanylethyl)pentyl]cyclopropanamine
CID 79228483
N-[4-methyl-2-(2-phenoxyethyl)pentyl]cyclopropanamine
CID 62529112
4-(2-methylpropylamino)cyclohexan-1-ol
CID 8024862
N-[4-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)pentyl]cyclopropanamine
CID 102900242
N-(2-cyclopentyl-4,6-dimethylheptyl)cyclopropanamine
CID 114201281

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine?
The IUPAC name of N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine (CID 62530308) is N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine?
The canonical SMILES for N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine is CC(C)CC(CNC1CC1)CC(C)C.
What is the InChIKey of N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine?
The InChIKey is ZMWQJZCZOYGDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)7-12(8-11(3)4)9-14-13-5-6-13/h10-14H,5-9H2,1-4H3.
What are the key properties of N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine?
N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine is sourced from PubChem (CID 62530308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).