N-[[2-[[methyl(prop-2-enyl)amino]methyl]-3-pyridinyl]methyl]propan-1-amine

C14H23N3 — CID 114199097

IUPACN-[[2-[[methyl(prop-2-enyl)amino]methyl]-3-pyridinyl]methyl]propan-1-amine
SMILESC=CCN(C)Cc1ncccc1CNCCC
InChIInChI=1S/C14H23N3/c1-4-8-15-11-13-7-6-9-16-14(13)12-17(3)10-5-2/h5-7,9,15H,2,4,8,10-12H2,1,3H3
InChIKeyWQRYHNNPWSLPFQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.20
Rot. Bonds8

About N-[[2-[[methyl(prop-2-enyl)amino]methyl]-3-pyridinyl]methyl]propan-1-amine

N-[[2-[[methyl(prop-2-enyl)amino]methyl]-3-pyridinyl]methyl]propan-1-amine (PubChem CID 114199097) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[[2-[[methyl(prop-2-enyl)amino]methyl]-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[[methyl(prop-2-enyl)amino]methyl]-3-pyridinyl]methyl]propan-1-amine
PubChem CID114199097
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[[2-[[methyl(prop-2-enyl)amino]methyl]-3-pyridinyl]methyl]propan-1-amine
SMILESC=CCN(C)Cc1ncccc1CNCCC
InChIInChI=1S/C14H23N3/c1-4-8-15-11-13-7-6-9-16-14(13)12-17(3)10-5-2/h5-7,9,15H,2,4,8,10-12H2,1,3H3
InChIKeyWQRYHNNPWSLPFQ-UHFFFAOYSA-N
XLogP2.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.20
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-ethyl-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62280397
N-methyl-N-[[3-(methylaminomethyl)-2-pyridinyl]methyl]pentan-1-amine
CID 114198997
N'-[(3-bromo-2-pyridinyl)methyl]-N'-methyl-N-propylethane-1,2-diamine
CID 107517389
N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62283787
N-[[3-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine
CID 114199004
N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62283165
N-methyl-N-(1-methylpiperidin-4-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 62279254
N-methyl-N-(2-methylphenyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62294632
N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62284189
N-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62434151
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286453
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 62279941

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[methyl(prop-2-enyl)amino]methyl]-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[[methyl(prop-2-enyl)amino]methyl]-3-pyridinyl]methyl]propan-1-amine (CID 114199097) is N-[[2-[[methyl(prop-2-enyl)amino]methyl]-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[[methyl(prop-2-enyl)amino]methyl]-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[[methyl(prop-2-enyl)amino]methyl]-3-pyridinyl]methyl]propan-1-amine is C=CCN(C)Cc1ncccc1CNCCC.
What is the InChIKey of N-[[2-[[methyl(prop-2-enyl)amino]methyl]-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is WQRYHNNPWSLPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-8-15-11-13-7-6-9-16-14(13)12-17(3)10-5-2/h5-7,9,15H,2,4,8,10-12H2,1,3H3.
What are the key properties of N-[[2-[[methyl(prop-2-enyl)amino]methyl]-3-pyridinyl]methyl]propan-1-amine?
N-[[2-[[methyl(prop-2-enyl)amino]methyl]-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[methyl(prop-2-enyl)amino]methyl]-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 114199097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).