(1R)-2-butyl-N-pentyl-3-propan-2-ylcyclopropan-1-amine

C15H31N — CID 134576838

IUPAC(1R)-2-butyl-N-pentyl-3-propan-2-ylcyclopropan-1-amine
SMILESCCCCCN[C@@H]1C(CCCC)C1C(C)C
InChIInChI=1S/C15H31N/c1-5-7-9-11-16-15-13(10-8-6-2)14(15)12(3)4/h12-16H,5-11H2,1-4H3/t13?,14?,15-/m1/s1
InChIKeyOLFQIPXZQOSSML-YMAMQOFZSA-N
MW225.42 g/mol
LogP4.23
Rot. Bonds9

About (1R)-2-butyl-N-pentyl-3-propan-2-ylcyclopropan-1-amine

(1R)-2-butyl-N-pentyl-3-propan-2-ylcyclopropan-1-amine (PubChem CID 134576838) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is (1R)-2-butyl-N-pentyl-3-propan-2-ylcyclopropan-1-amine.

Molecular Properties

Compound Name(1R)-2-butyl-N-pentyl-3-propan-2-ylcyclopropan-1-amine
PubChem CID134576838
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name(1R)-2-butyl-N-pentyl-3-propan-2-ylcyclopropan-1-amine
SMILESCCCCCN[C@@H]1C(CCCC)C1C(C)C
InChIInChI=1S/C15H31N/c1-5-7-9-11-16-15-13(10-8-6-2)14(15)12(3)4/h12-16H,5-11H2,1-4H3/t13?,14?,15-/m1/s1
InChIKeyOLFQIPXZQOSSML-YMAMQOFZSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.23
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

1-butyl-2-methyl-3-propan-2-ylcyclopropane
CID 91545202
1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane
CID 123185482
(1R,2S,3S,4R,5R,6S)-5-(hydroxymethyl)-6-(pentylamino)cyclohexane-1,2,3,4-tetrol
CID 155801594
(1R,2S,3S,4R,5R,6S)-5-(hydroxymethyl)-6-(octylamino)cyclohexane-1,2,3,4-tetrol
CID 122395553
N-pentyl-4-propan-2-ylcyclohexan-1-amine
CID 63418461
N-hexyl-4-propan-2-ylcyclohexan-1-amine
CID 63421018
N-hexyladamantan-2-amine
CID 43406596
N-pentyl-3-propan-2-ylcyclohexan-1-amine
CID 107447748
2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane
CID 123619623
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N,N'-diheptylhexane-1,6-diamine
CID 3028571

Frequently Asked Questions

What is the IUPAC name of (1R)-2-butyl-N-pentyl-3-propan-2-ylcyclopropan-1-amine?
The IUPAC name of (1R)-2-butyl-N-pentyl-3-propan-2-ylcyclopropan-1-amine (CID 134576838) is (1R)-2-butyl-N-pentyl-3-propan-2-ylcyclopropan-1-amine.
What is the SMILES notation for (1R)-2-butyl-N-pentyl-3-propan-2-ylcyclopropan-1-amine?
The canonical SMILES for (1R)-2-butyl-N-pentyl-3-propan-2-ylcyclopropan-1-amine is CCCCCN[C@@H]1C(CCCC)C1C(C)C.
What is the InChIKey of (1R)-2-butyl-N-pentyl-3-propan-2-ylcyclopropan-1-amine?
The InChIKey is OLFQIPXZQOSSML-YMAMQOFZSA-N. The full InChI is InChI=1S/C15H31N/c1-5-7-9-11-16-15-13(10-8-6-2)14(15)12(3)4/h12-16H,5-11H2,1-4H3/t13?,14?,15-/m1/s1.
What are the key properties of (1R)-2-butyl-N-pentyl-3-propan-2-ylcyclopropan-1-amine?
(1R)-2-butyl-N-pentyl-3-propan-2-ylcyclopropan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-butyl-N-pentyl-3-propan-2-ylcyclopropan-1-amine is sourced from PubChem (CID 134576838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).