5-[(Z)-prop-1-enyl]imino-N-propylheptan-1-amine

C13H26N2 — CID 163944905

IUPAC5-[(Z)-prop-1-enyl]imino-N-propylheptan-1-amine
SMILESC/C=C\N=C(/CC)CCCCNCCC
InChIInChI=1S/C13H26N2/c1-4-10-14-12-8-7-9-13(6-3)15-11-5-2/h5,11,14H,4,6-10,12H2,1-3H3/b11-5-,15-13+
InChIKeyRUGCORXXHICTLN-JSYAVDNYSA-N
MW210.37 g/mol
LogP3.54
Rot. Bonds9

About 5-[(Z)-prop-1-enyl]imino-N-propylheptan-1-amine

5-[(Z)-prop-1-enyl]imino-N-propylheptan-1-amine (PubChem CID 163944905) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is 5-[(Z)-prop-1-enyl]imino-N-propylheptan-1-amine.

Molecular Properties

Compound Name5-[(Z)-prop-1-enyl]imino-N-propylheptan-1-amine
PubChem CID163944905
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC Name5-[(Z)-prop-1-enyl]imino-N-propylheptan-1-amine
SMILESC/C=C\N=C(/CC)CCCCNCCC
InChIInChI=1S/C13H26N2/c1-4-10-14-12-8-7-9-13(6-3)15-11-5-2/h5,11,14H,4,6-10,12H2,1-3H3/b11-5-,15-13+
InChIKeyRUGCORXXHICTLN-JSYAVDNYSA-N
XLogP3.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dihydro-2H-pyrrol-5-yl)ethyl]prop-2-en-1-amine
CID 70351013
N-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine
CID 123206074
N-ethenyl-1-[(2S)-pyrrolidin-2-yl]propan-1-imine
CID 124117037
2-[(E)-prop-1-enyl]iminopentan-1-amine
CID 130181341
N-methylmethanamine;6-methyl-2,3,4,5-tetrahydropyridine;N-prop-1-en-2-ylpropan-1-amine
CID 142051156
ethane;2-methyl-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 143163852
ethane;N-methyl-3-[(Z)-prop-1-enyl]iminopentan-2-amine
CID 143265925
N-[(1Z)-buta-1,3-dienyl]-1-piperidin-2-ylethanimine
CID 143660824
(3Z)-6-methyl-2,7,8,9-tetrahydro-1H-1,5-diazonine
CID 144272297
2-(3,4-dihydropyridin-2-yl)-N-ethenylethanamine;ethane
CID 144487465
4-methylimino-N-prop-1-en-2-ylpentan-1-amine
CID 145519628
3-[(Z)-prop-1-enyl]iminopentane-1,1-diamine
CID 145694138

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-prop-1-enyl]imino-N-propylheptan-1-amine?
The IUPAC name of 5-[(Z)-prop-1-enyl]imino-N-propylheptan-1-amine (CID 163944905) is 5-[(Z)-prop-1-enyl]imino-N-propylheptan-1-amine.
What is the SMILES notation for 5-[(Z)-prop-1-enyl]imino-N-propylheptan-1-amine?
The canonical SMILES for 5-[(Z)-prop-1-enyl]imino-N-propylheptan-1-amine is C/C=C\N=C(/CC)CCCCNCCC.
What is the InChIKey of 5-[(Z)-prop-1-enyl]imino-N-propylheptan-1-amine?
The InChIKey is RUGCORXXHICTLN-JSYAVDNYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-10-14-12-8-7-9-13(6-3)15-11-5-2/h5,11,14H,4,6-10,12H2,1-3H3/b11-5-,15-13+.
What are the key properties of 5-[(Z)-prop-1-enyl]imino-N-propylheptan-1-amine?
5-[(Z)-prop-1-enyl]imino-N-propylheptan-1-amine has a molecular weight of 210.37 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-prop-1-enyl]imino-N-propylheptan-1-amine is sourced from PubChem (CID 163944905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).