N-[[6-[[propan-2-yl(prop-2-enyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine

C16H27N3 — CID 106906995

IUPACN-[[6-[[propan-2-yl(prop-2-enyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
SMILESC=CCN(Cc1cccc(CNCCC)n1)C(C)C
InChIInChI=1S/C16H27N3/c1-5-10-17-12-15-8-7-9-16(18-15)13-19(11-6-2)14(3)4/h6-9,14,17H,2,5,10-13H2,1,3-4H3
InChIKeyBQUJZGBXSCMBDB-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.98
Rot. Bonds9

About N-[[6-[[propan-2-yl(prop-2-enyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine

N-[[6-[[propan-2-yl(prop-2-enyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106906995) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[6-[[propan-2-yl(prop-2-enyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-[[propan-2-yl(prop-2-enyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
PubChem CID106906995
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[6-[[propan-2-yl(prop-2-enyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
SMILESC=CCN(Cc1cccc(CNCCC)n1)C(C)C
InChIInChI=1S/C16H27N3/c1-5-10-17-12-15-8-7-9-16(18-15)13-19(11-6-2)14(3)4/h6-9,14,17H,2,5,10-13H2,1,3-4H3
InChIKeyBQUJZGBXSCMBDB-UHFFFAOYSA-N
XLogP2.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906020
N-[[6-[[methyl(propan-2-yl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905577
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine
CID 106906306
N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906390
2-[4-[[propan-2-yl(prop-2-enyl)amino]methyl]phenyl]-N-propylpropan-1-amine
CID 105348147
N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine
CID 106905570
N-[[6-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906183
N-ethyl-N-[(6-ethyl-2-pyridinyl)methyl]propan-2-amine
CID 138536706
N-[[6-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906373
N-[[6-(1,1,1-trifluoropropan-2-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106908474
N,3-dimethyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
CID 106906147

Frequently Asked Questions

What is the IUPAC name of N-[[6-[[propan-2-yl(prop-2-enyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[[propan-2-yl(prop-2-enyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine (CID 106906995) is N-[[6-[[propan-2-yl(prop-2-enyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[[propan-2-yl(prop-2-enyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[[propan-2-yl(prop-2-enyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine is C=CCN(Cc1cccc(CNCCC)n1)C(C)C.
What is the InChIKey of N-[[6-[[propan-2-yl(prop-2-enyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is BQUJZGBXSCMBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-10-17-12-15-8-7-9-16(18-15)13-19(11-6-2)14(3)4/h6-9,14,17H,2,5,10-13H2,1,3-4H3.
What are the key properties of N-[[6-[[propan-2-yl(prop-2-enyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine?
N-[[6-[[propan-2-yl(prop-2-enyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[propan-2-yl(prop-2-enyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106906995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).