N-(3-cyclopentylpropyl)-5-methylheptan-3-amine

C16H33N — CID 114136708

IUPACN-(3-cyclopentylpropyl)-5-methylheptan-3-amine
SMILESCCC(C)CC(CC)NCCCC1CCCC1
InChIInChI=1S/C16H33N/c1-4-14(3)13-16(5-2)17-12-8-11-15-9-6-7-10-15/h14-17H,4-13H2,1-3H3
InChIKeyNNRBNMNMUDZECI-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.76
Rot. Bonds9

About N-(3-cyclopentylpropyl)-5-methylheptan-3-amine

N-(3-cyclopentylpropyl)-5-methylheptan-3-amine (PubChem CID 114136708) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-5-methylheptan-3-amine.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-5-methylheptan-3-amine
PubChem CID114136708
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-(3-cyclopentylpropyl)-5-methylheptan-3-amine
SMILESCCC(C)CC(CC)NCCCC1CCCC1
InChIInChI=1S/C16H33N/c1-4-14(3)13-16(5-2)17-12-8-11-15-9-6-7-10-15/h14-17H,4-13H2,1-3H3
InChIKeyNNRBNMNMUDZECI-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.76
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-(3-cyclopentylpropyl)hexan-3-amine
CID 106008928
3-(3-cyclopentylpropylamino)pentanenitrile
CID 106010678
1-cyclopentyl-4-methyl-N-propylhexan-2-amine
CID 115846282
3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
CID 91804535
1-cyclopentyl-N,5-dimethylheptan-3-amine
CID 115846256
1-cyclopentyl-N-ethyl-4-methylhexan-2-amine
CID 115846177
N-(2-cyclopentylethyl)heptan-3-amine
CID 63945725
3-cyclohexyl-N-(1-cyclopropylethyl)propan-1-amine
CID 115676362
N-(3-cyclopentylpropyl)heptan-2-amine
CID 106008711
(2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid
CID 122100235
N-[1-(1-adamantyl)ethyl]-3-cyclopentylpropan-1-amine
CID 106008374
N-(3-cyclohexylpropyl)-3-methoxybutan-2-amine
CID 115709393

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-5-methylheptan-3-amine?
The IUPAC name of N-(3-cyclopentylpropyl)-5-methylheptan-3-amine (CID 114136708) is N-(3-cyclopentylpropyl)-5-methylheptan-3-amine.
What is the SMILES notation for N-(3-cyclopentylpropyl)-5-methylheptan-3-amine?
The canonical SMILES for N-(3-cyclopentylpropyl)-5-methylheptan-3-amine is CCC(C)CC(CC)NCCCC1CCCC1.
What is the InChIKey of N-(3-cyclopentylpropyl)-5-methylheptan-3-amine?
The InChIKey is NNRBNMNMUDZECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-14(3)13-16(5-2)17-12-8-11-15-9-6-7-10-15/h14-17H,4-13H2,1-3H3.
What are the key properties of N-(3-cyclopentylpropyl)-5-methylheptan-3-amine?
N-(3-cyclopentylpropyl)-5-methylheptan-3-amine has a molecular weight of 239.45 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-5-methylheptan-3-amine is sourced from PubChem (CID 114136708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).