N-(pyridin-2-ylmethyl)hex-5-en-2-amine

C12H18N2 — CID 75525482

IUPACN-(pyridin-2-ylmethyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCc1ccccn1
InChIInChI=1S/C12H18N2/c1-3-4-7-11(2)14-10-12-8-5-6-9-13-12/h3,5-6,8-9,11,14H,1,4,7,10H2,2H3
InChIKeyQUYZGMYLWIVUPK-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.53
Rot. Bonds6

About N-(pyridin-2-ylmethyl)hex-5-en-2-amine

N-(pyridin-2-ylmethyl)hex-5-en-2-amine (PubChem CID 75525482) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)hex-5-en-2-amine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)hex-5-en-2-amine
PubChem CID75525482
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-(pyridin-2-ylmethyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCc1ccccn1
InChIInChI=1S/C12H18N2/c1-3-4-7-11(2)14-10-12-8-5-6-9-13-12/h3,5-6,8-9,11,14H,1,4,7,10H2,2H3
InChIKeyQUYZGMYLWIVUPK-UHFFFAOYSA-N
XLogP2.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(pyridin-2-ylmethyl)hex-5-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(2-pyridin-2-ylethyl)hex-5-en-2-amine
CID 97358782
1-cyclopropyl-N-(pyridin-2-ylmethyl)pent-4-en-1-amine
CID 115751180
(2R)-N-benzylhex-5-en-2-amine
CID 97107585
N-(pyridin-2-ylmethyl)octan-2-amine
CID 43085262
(2S)-N-[(1S)-1-pyridin-2-ylethyl]hex-5-en-2-amine
CID 97358759
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]hex-5-en-2-amine
CID 104581823
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)propan-2-amine
CID 115626100
(2S)-N-(thiophen-2-ylmethyl)hex-5-en-2-amine
CID 97358797
4-(3-methylphenyl)-N-(pyridin-2-ylmethyl)butan-2-amine
CID 61171888
(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 28618020
(2R)-N-benzyl-1-pyridin-2-ylpropan-2-amine
CID 125422187
3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 43201494

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)hex-5-en-2-amine?
The IUPAC name of N-(pyridin-2-ylmethyl)hex-5-en-2-amine (CID 75525482) is N-(pyridin-2-ylmethyl)hex-5-en-2-amine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)hex-5-en-2-amine?
The canonical SMILES for N-(pyridin-2-ylmethyl)hex-5-en-2-amine is C=CCCC(C)NCc1ccccn1.
What is the InChIKey of N-(pyridin-2-ylmethyl)hex-5-en-2-amine?
The InChIKey is QUYZGMYLWIVUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-4-7-11(2)14-10-12-8-5-6-9-13-12/h3,5-6,8-9,11,14H,1,4,7,10H2,2H3.
What are the key properties of N-(pyridin-2-ylmethyl)hex-5-en-2-amine?
N-(pyridin-2-ylmethyl)hex-5-en-2-amine has a molecular weight of 190.29 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)hex-5-en-2-amine is sourced from PubChem (CID 75525482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).