N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine

C12H25N — CID 81300289

IUPACN-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine
SMILESCC(C)CCCNC(C)CC1CC1
InChIInChI=1S/C12H25N/c1-10(2)5-4-8-13-11(3)9-12-6-7-12/h10-13H,4-9H2,1-3H3
InChIKeyRTJNFLVJGMHNIE-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds7

About N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine

N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine (PubChem CID 81300289) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine
PubChem CID81300289
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine
SMILESCC(C)CCCNC(C)CC1CC1
InChIInChI=1S/C12H25N/c1-10(2)5-4-8-13-11(3)9-12-6-7-12/h10-13H,4-9H2,1-3H3
InChIKeyRTJNFLVJGMHNIE-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(1-cyclopropylpropan-2-yl)-N-methylpropane-1,3-diamine
CID 91064038
1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine
CID 115890825
N-(1-cyclopropylpropan-2-yl)pent-4-yn-1-amine
CID 115724863
1-cyclopropyl-N-(3-methylsulfinylpropyl)propan-2-amine
CID 115721005
N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine
CID 104537240
4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine
CID 79540929
N-(3-cyclohexyloxypropyl)-1-cyclopropylpropan-2-amine
CID 115707843
1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706204
(E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine
CID 115890255
N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115705382
1-cyclopropyl-N-[3-(oxolan-3-yloxy)propyl]propan-2-amine
CID 115727743
N-(1-cyclohexylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 165494361

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine (CID 81300289) is N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine is CC(C)CCCNC(C)CC1CC1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine?
The InChIKey is RTJNFLVJGMHNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)5-4-8-13-11(3)9-12-6-7-12/h10-13H,4-9H2,1-3H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine?
N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 81300289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).