N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine

C17H30N2 — CID 43225481

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCCCN1CCCNCC1CC2C=CC1C2
InChIInChI=1S/C17H30N2/c1-14-5-2-3-9-19(14)10-4-8-18-13-17-12-15-6-7-16(17)11-15/h6-7,14-18H,2-5,8-13H2,1H3
InChIKeyIMLVXLZJRNPJKB-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.05
Rot. Bonds6

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine (PubChem CID 43225481) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
PubChem CID43225481
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCCCN1CCCNCC1CC2C=CC1C2
InChIInChI=1S/C17H30N2/c1-14-5-2-3-9-19(14)10-4-8-18-13-17-12-15-6-7-16(17)11-15/h6-7,14-18H,2-5,8-13H2,1H3
InChIKeyIMLVXLZJRNPJKB-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71455186
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CID 143268112
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 63190466
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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine (CID 43225481) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine is CC1CCCCN1CCCNCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is IMLVXLZJRNPJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-14-5-2-3-9-19(14)10-4-8-18-13-17-12-15-6-7-16(17)11-15/h6-7,14-18H,2-5,8-13H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 43225481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).