N-[[6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine

C15H21N3 — CID 114412981

IUPACN-[[6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESC1=CCN(Cc2ccc(CNC3CC3)cn2)CC1
InChIInChI=1S/C15H21N3/c1-2-8-18(9-3-1)12-15-5-4-13(11-17-15)10-16-14-6-7-14/h1-2,4-5,11,14,16H,3,6-10,12H2
InChIKeyUJRBUHIUCSYWGM-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.10
Rot. Bonds5

About N-[[6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine

N-[[6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 114412981) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID114412981
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[[6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESC1=CCN(Cc2ccc(CNC3CC3)cn2)CC1
InChIInChI=1S/C15H21N3/c1-2-8-18(9-3-1)12-15-5-4-13(11-17-15)10-16-14-6-7-14/h1-2,4-5,11,14,16H,3,6-10,12H2
InChIKeyUJRBUHIUCSYWGM-UHFFFAOYSA-N
XLogP2.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 114412947
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 115562170
N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
CID 53385515
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
5-[(cyclopentylamino)methyl]pyridine-2-carboxamide
CID 115685055
5-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(trifluoromethyl)pyridine
CID 141220850
N-methyl-1-[6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methanamine
CID 81195517
1-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-3-methylpiperidin-4-ol
CID 114679337
N-[[6-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 63621276
5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole
CID 171999260
N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine
CID 146014724
N-[(5-ethyl-2-pyridinyl)methyl]-1-propylpiperidin-3-amine
CID 131951338

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine (CID 114412981) is N-[[6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine is C1=CCN(Cc2ccc(CNC3CC3)cn2)CC1.
What is the InChIKey of N-[[6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is UJRBUHIUCSYWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-8-18(9-3-1)12-15-5-4-13(11-17-15)10-16-14-6-7-14/h1-2,4-5,11,14,16H,3,6-10,12H2.
What are the key properties of N-[[6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 243.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 114412981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).