N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine

C17H27N3 — CID 106906708

IUPACN-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESCC1CCCCCN1Cc1cccc(CNC2CC2)n1
InChIInChI=1S/C17H27N3/c1-14-6-3-2-4-11-20(14)13-17-8-5-7-16(19-17)12-18-15-9-10-15/h5,7-8,14-15,18H,2-4,6,9-13H2,1H3
InChIKeyKLJZWJOVJCUNAR-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.10
Rot. Bonds5

About N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine

N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 106906708) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
PubChem CID106906708
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESCC1CCCCCN1Cc1cccc(CNC2CC2)n1
InChIInChI=1S/C17H27N3/c1-14-6-3-2-4-11-20(14)13-17-8-5-7-16(19-17)12-18-15-9-10-15/h5,7-8,14-15,18H,2-4,6,9-13H2,1H3
InChIKeyKLJZWJOVJCUNAR-UHFFFAOYSA-N
XLogP3.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-methyl-6-[(2-methylpiperidin-1-yl)methyl]pyridin-2-amine
CID 79243246
2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine
CID 126985647
N-[[6-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106905627
N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906469
N-methyl-1-[6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-pyridinyl]methanamine
CID 106906872
N-[[6-[(3-methylthiomorpholin-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906683
N-[[6-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906796
N-[[6-(2,3-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62286910
1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine
CID 106905663
N-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 107395527
N-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106907359
1-[6-[(2,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine
CID 114087777

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine (CID 106906708) is N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine is CC1CCCCCN1Cc1cccc(CNC2CC2)n1.
What is the InChIKey of N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is KLJZWJOVJCUNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-6-3-2-4-11-20(14)13-17-8-5-7-16(19-17)12-18-15-9-10-15/h5,7-8,14-15,18H,2-4,6,9-13H2,1H3.
What are the key properties of N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 106906708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).