N-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine

C17H24N2 — CID 117205656

IUPACN-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine
SMILESC1=C(CCNC2CC2)CN(Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2/c1-2-5-15(6-3-1)13-19-12-4-7-16(14-19)10-11-18-17-8-9-17/h1-3,5-7,17-18H,4,8-14H2
InChIKeyGLJOCNWWLOWVOJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.96
Rot. Bonds6

About N-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine

N-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine (PubChem CID 117205656) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine
PubChem CID117205656
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine
SMILESC1=C(CCNC2CC2)CN(Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2/c1-2-5-15(6-3-1)13-19-12-4-7-16(14-19)10-11-18-17-8-9-17/h1-3,5-7,17-18H,4,8-14H2
InChIKeyGLJOCNWWLOWVOJ-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine
CID 117205582
3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine
CID 117205892
1-benzyl-N-butylpiperidin-4-amine
CID 11253643
1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine
CID 117206009
N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425638
1-benzyl-N-[2-(2-methoxyphenyl)ethyl]piperidin-4-amine
CID 27267411
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
1-benzyl-N-(4-methylpentyl)piperidin-4-amine
CID 60744361
1-benzyl-N-(2-methylsulfinylethyl)piperidin-4-amine
CID 115654108
N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
CID 118109233
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine
CID 144962776

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine (CID 117205656) is N-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine is C1=C(CCNC2CC2)CN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine?
The InChIKey is GLJOCNWWLOWVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-5-15(6-3-1)13-19-12-4-7-16(14-19)10-11-18-17-8-9-17/h1-3,5-7,17-18H,4,8-14H2.
What are the key properties of N-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine?
N-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine has a molecular weight of 256.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 117205656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).