N-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine

C16H25N3 — CID 106906810

IUPACN-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine
SMILESc1cc(CCCCNC2CC2)nc(CNC2CC2)c1
InChIInChI=1S/C16H25N3/c1(2-11-17-13-7-8-13)4-15-5-3-6-16(19-15)12-18-14-9-10-14/h3,5-6,13-14,17-18H,1-2,4,7-12H2
InChIKeyGXPBCJSLOYHKPI-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.41
Rot. Bonds9

About N-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine

N-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine (PubChem CID 106906810) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine
PubChem CID106906810
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine
SMILESc1cc(CCCCNC2CC2)nc(CNC2CC2)c1
InChIInChI=1S/C16H25N3/c1(2-11-17-13-7-8-13)4-15-5-3-6-16(19-15)12-18-14-9-10-14/h3,5-6,13-14,17-18H,1-2,4,7-12H2
InChIKeyGXPBCJSLOYHKPI-UHFFFAOYSA-N
XLogP2.41
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[6-(propylaminomethyl)-2-pyridinyl]butyl]cyclopropanamine
CID 106906804
N-[4-[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]butyl]cyclopropanamine
CID 66339547
N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine
CID 66322123
N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106908050
N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine
CID 62287510
N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine
CID 107557088
N-[[6-(1,2,4-triazol-1-ylmethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106907359
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106206138
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]cyclopropanamine
CID 62291463
N-[[6-[[3-methoxypropyl(methyl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906493
N-[[6-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106905627
N-[[6-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 103539487

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine?
The IUPAC name of N-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine (CID 106906810) is N-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine?
The canonical SMILES for N-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine is c1cc(CCCCNC2CC2)nc(CNC2CC2)c1.
What is the InChIKey of N-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine?
The InChIKey is GXPBCJSLOYHKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1(2-11-17-13-7-8-13)4-15-5-3-6-16(19-15)12-18-14-9-10-14/h3,5-6,13-14,17-18H,1-2,4,7-12H2.
What are the key properties of N-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine?
N-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine has a molecular weight of 259.40 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine is sourced from PubChem (CID 106906810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).