N-(3-cyclopentylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

C18H33N — CID 106008535

IUPACN-(3-cyclopentylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCCCC1CCCC1)C2
InChIInChI=1S/C18H33N/c1-17(2)15-10-11-18(17,3)16(13-15)19-12-6-9-14-7-4-5-8-14/h14-16,19H,4-13H2,1-3H3
InChIKeyUNHJNVLZOBNQGD-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.76
Rot. Bonds5

About N-(3-cyclopentylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine

N-(3-cyclopentylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 106008535) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID106008535
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-(3-cyclopentylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1(C)C2CCC1(C)C(NCCCC1CCCC1)C2
InChIInChI=1S/C18H33N/c1-17(2)15-10-11-18(17,3)16(13-15)19-12-6-9-14-7-4-5-8-14/h14-16,19H,4-13H2,1-3H3
InChIKeyUNHJNVLZOBNQGD-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
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

4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]butan-1-ol
CID 106841082
(1S,4S)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 55268656
(1S,2R,4R)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 124572596
N-(3-methoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 60662731
N-(3-butoxypropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115572582
N-hex-5-ynyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 114158528
N'-methyl-N'-propan-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 106040590
N-(2-cyclohexyloxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63828343
(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
(1S,2S,4R)-N-(2-methoxyethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 124572600
1,7,7-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]bicyclo[2.2.1]heptan-2-amine
CID 60669267
N-(2,2-dimethylbutyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 103460678

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(3-cyclopentylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine (CID 106008535) is N-(3-cyclopentylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(3-cyclopentylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(3-cyclopentylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is CC1(C)C2CCC1(C)C(NCCCC1CCCC1)C2.
What is the InChIKey of N-(3-cyclopentylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is UNHJNVLZOBNQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-17(2)15-10-11-18(17,3)16(13-15)19-12-6-9-14-7-4-5-8-14/h14-16,19H,4-13H2,1-3H3.
What are the key properties of N-(3-cyclopentylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine?
N-(3-cyclopentylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 263.47 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 106008535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).