N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine

C18H28N2 — CID 106640830

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCNC1)CC1Cc2ccccc21
InChIInChI=1S/C18H28N2/c1-2-10-20(13-15-6-5-9-19-12-15)14-17-11-16-7-3-4-8-18(16)17/h3-4,7-8,15,17,19H,2,5-6,9-14H2,1H3
InChIKeyASWOMVYBMASAIN-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.04
Rot. Bonds6

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine (PubChem CID 106640830) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
PubChem CID106640830
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCNC1)CC1Cc2ccccc21
InChIInChI=1S/C18H28N2/c1-2-10-20(13-15-6-5-9-19-12-15)14-17-11-16-7-3-4-8-18(16)17/h3-4,7-8,15,17,19H,2,5-6,9-14H2,1H3
InChIKeyASWOMVYBMASAIN-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine with MolForge

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Related Compounds

N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(2-chloroethyl)propan-1-amine
CID 66394694
N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262416
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine
CID 106625318
4-phenyl-N-(piperidin-3-ylmethyl)-N-propylbutan-1-amine
CID 106640732
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106638708
4-[[piperidin-3-ylmethyl(propyl)amino]methyl]benzonitrile
CID 106625307
N-(piperidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 106640814
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640868
N-(piperidin-3-ylmethyl)-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 106625395
N-[[3-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625184

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine (CID 106640830) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine is CCCN(CC1CCCNC1)CC1Cc2ccccc21.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
The InChIKey is ASWOMVYBMASAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-10-20(13-15-6-5-9-19-12-15)14-17-11-16-7-3-4-8-18(16)17/h3-4,7-8,15,17,19H,2,5-6,9-14H2,1H3.
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-(piperidin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106640830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).