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

C16H27N3 — CID 106906804

IUPACN-[4-[6-(propylaminomethyl)-2-pyridinyl]butyl]cyclopropanamine
SMILESCCCNCc1cccc(CCCCNC2CC2)n1
InChIInChI=1S/C16H27N3/c1-2-11-17-13-16-8-5-7-15(19-16)6-3-4-12-18-14-9-10-14/h5,7-8,14,17-18H,2-4,6,9-13H2,1H3
InChIKeyFYRDKYFFZDIPAR-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.66
Rot. Bonds10

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

N-[4-[6-(propylaminomethyl)-2-pyridinyl]butyl]cyclopropanamine (PubChem CID 106906804) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[4-[6-(propylaminomethyl)-2-pyridinyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[6-(propylaminomethyl)-2-pyridinyl]butyl]cyclopropanamine
PubChem CID106906804
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[4-[6-(propylaminomethyl)-2-pyridinyl]butyl]cyclopropanamine
SMILESCCCNCc1cccc(CCCCNC2CC2)n1
InChIInChI=1S/C16H27N3/c1-2-11-17-13-16-8-5-7-15(19-16)6-3-4-12-18-14-9-10-14/h5,7-8,14,17-18H,2-4,6,9-13H2,1H3
InChIKeyFYRDKYFFZDIPAR-UHFFFAOYSA-N
XLogP2.66
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.66
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-[(cyclopropylamino)methyl]-2-pyridinyl]butyl]cyclopropanamine
CID 106906810
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine
CID 106905570
N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907788
N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907746
2,6-dipentylpyridine
CID 58097448
N-[4-[5-methyl-4-(propylaminomethyl)furan-2-yl]butyl]cyclopropanamine
CID 66337351
N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907547
N-[4-[2-methyl-5-(propylaminomethyl)thiophen-3-yl]butyl]cyclopropanamine
CID 80729000
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106206173
N-cyclopentyl-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62278994
2,6-didodecylpyridine
CID 90943274

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(propylaminomethyl)-2-pyridinyl]butyl]cyclopropanamine?
The IUPAC name of N-[4-[6-(propylaminomethyl)-2-pyridinyl]butyl]cyclopropanamine (CID 106906804) is N-[4-[6-(propylaminomethyl)-2-pyridinyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-[6-(propylaminomethyl)-2-pyridinyl]butyl]cyclopropanamine?
The canonical SMILES for N-[4-[6-(propylaminomethyl)-2-pyridinyl]butyl]cyclopropanamine is CCCNCc1cccc(CCCCNC2CC2)n1.
What is the InChIKey of N-[4-[6-(propylaminomethyl)-2-pyridinyl]butyl]cyclopropanamine?
The InChIKey is FYRDKYFFZDIPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-2-11-17-13-16-8-5-7-15(19-16)6-3-4-12-18-14-9-10-14/h5,7-8,14,17-18H,2-4,6,9-13H2,1H3.
What are the key properties of N-[4-[6-(propylaminomethyl)-2-pyridinyl]butyl]cyclopropanamine?
N-[4-[6-(propylaminomethyl)-2-pyridinyl]butyl]cyclopropanamine has a molecular weight of 261.41 g/mol, XLogP of 2.66, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(propylaminomethyl)-2-pyridinyl]butyl]cyclopropanamine is sourced from PubChem (CID 106906804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).