(1S)-N,N-dimethyl-1-[(1R)-2-propylcyclopentyl]hexan-1-amine

C16H33N — CID 134258073

IUPAC(1S)-N,N-dimethyl-1-[(1R)-2-propylcyclopentyl]hexan-1-amine
SMILESCCCCC[C@@H]([C@@H]1CCCC1CCC)N(C)C
InChIInChI=1S/C16H33N/c1-5-7-8-13-16(17(3)4)15-12-9-11-14(15)10-6-2/h14-16H,5-13H2,1-4H3/t14?,15-,16+/m1/s1
InChIKeyLWBQBIRLJGCEJL-JAIYHHTPSA-N
MW239.45 g/mol
LogP4.71
Rot. Bonds8

About (1S)-N,N-dimethyl-1-[(1R)-2-propylcyclopentyl]hexan-1-amine

(1S)-N,N-dimethyl-1-[(1R)-2-propylcyclopentyl]hexan-1-amine (PubChem CID 134258073) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is (1S)-N,N-dimethyl-1-[(1R)-2-propylcyclopentyl]hexan-1-amine.

Molecular Properties

Compound Name(1S)-N,N-dimethyl-1-[(1R)-2-propylcyclopentyl]hexan-1-amine
PubChem CID134258073
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name(1S)-N,N-dimethyl-1-[(1R)-2-propylcyclopentyl]hexan-1-amine
SMILESCCCCC[C@@H]([C@@H]1CCCC1CCC)N(C)C
InChIInChI=1S/C16H33N/c1-5-7-8-13-16(17(3)4)15-12-9-11-14(15)10-6-2/h14-16H,5-13H2,1-4H3/t14?,15-,16+/m1/s1
InChIKeyLWBQBIRLJGCEJL-JAIYHHTPSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(dimethylamino)undecyl]cyclohexan-1-ol
CID 70635932
1-pentyl-2-propylcyclopentane
CID 549948
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
argon;1-hexan-2-yl-2-[2-(2-propylcyclohexyl)propyl]cyclohexane;methane
CID 159830790
1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane
CID 123242548
N-methyl-3-[(2R)-2-propylcyclopentyl]butan-1-amine
CID 146383066
1-heptyl-2-pentylcyclopentane
CID 102061725
1-octyl-2-pentylcyclopentane
CID 170668279
[(1S,2S)-2-propylcyclopentyl]methanamine
CID 124512847
1,2-diheptylcyclopentane
CID 102061720
hydron;2-[(3S)-3-hydroxyoctyl]cyclopentan-1-ol
CID 174785883
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114

Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dimethyl-1-[(1R)-2-propylcyclopentyl]hexan-1-amine?
The IUPAC name of (1S)-N,N-dimethyl-1-[(1R)-2-propylcyclopentyl]hexan-1-amine (CID 134258073) is (1S)-N,N-dimethyl-1-[(1R)-2-propylcyclopentyl]hexan-1-amine.
What is the SMILES notation for (1S)-N,N-dimethyl-1-[(1R)-2-propylcyclopentyl]hexan-1-amine?
The canonical SMILES for (1S)-N,N-dimethyl-1-[(1R)-2-propylcyclopentyl]hexan-1-amine is CCCCC[C@@H]([C@@H]1CCCC1CCC)N(C)C.
What is the InChIKey of (1S)-N,N-dimethyl-1-[(1R)-2-propylcyclopentyl]hexan-1-amine?
The InChIKey is LWBQBIRLJGCEJL-JAIYHHTPSA-N. The full InChI is InChI=1S/C16H33N/c1-5-7-8-13-16(17(3)4)15-12-9-11-14(15)10-6-2/h14-16H,5-13H2,1-4H3/t14?,15-,16+/m1/s1.
What are the key properties of (1S)-N,N-dimethyl-1-[(1R)-2-propylcyclopentyl]hexan-1-amine?
(1S)-N,N-dimethyl-1-[(1R)-2-propylcyclopentyl]hexan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dimethyl-1-[(1R)-2-propylcyclopentyl]hexan-1-amine is sourced from PubChem (CID 134258073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).