(5Z,8Z)-3-methyl-N-propyl-4,7-dihydro-2H-azecin-3-amine

C13H22N2 — CID 142041410

IUPAC(5Z,8Z)-3-methyl-N-propyl-4,7-dihydro-2H-azecin-3-amine
SMILESCCCNC1(C)C/C=C\C/C=C\C=N/C1
InChIInChI=1S/C13H22N2/c1-3-10-15-13(2)9-7-5-4-6-8-11-14-12-13/h5-8,11,15H,3-4,9-10,12H2,1-2H3/b7-5-,8-6-,14-11-
InChIKeyKFCDAEQYCMBAMY-WAFZICQLSA-N
MW206.33 g/mol
LogP2.72
Rot. Bonds3

About (5Z,8Z)-3-methyl-N-propyl-4,7-dihydro-2H-azecin-3-amine

(5Z,8Z)-3-methyl-N-propyl-4,7-dihydro-2H-azecin-3-amine (PubChem CID 142041410) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (5Z,8Z)-3-methyl-N-propyl-4,7-dihydro-2H-azecin-3-amine.

Molecular Properties

Compound Name(5Z,8Z)-3-methyl-N-propyl-4,7-dihydro-2H-azecin-3-amine
PubChem CID142041410
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(5Z,8Z)-3-methyl-N-propyl-4,7-dihydro-2H-azecin-3-amine
SMILESCCCNC1(C)C/C=C\C/C=C\C=N/C1
InChIInChI=1S/C13H22N2/c1-3-10-15-13(2)9-7-5-4-6-8-11-14-12-13/h5-8,11,15H,3-4,9-10,12H2,1-2H3/b7-5-,8-6-,14-11-
InChIKeyKFCDAEQYCMBAMY-WAFZICQLSA-N
XLogP2.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 57152754
5,9-Diazaspiro[3.6]deca-2,5-diene
CID 91328736
N'-(3,4-dihydro-2H-azepin-3-ylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 142095769
N-(2,3-dihydropyridin-2-ylmethyl)propan-2-amine
CID 142173291
1-(2,3-dihydropyridin-2-yl)-N-ethylpropan-1-amine;N-methylethanamine
CID 144144913
(6Z)-5-methyl-8-methylidene-2,3,9,10-tetrahydro-1H-1,4-diazecine
CID 156166766
N'-[(3-methyl-2,3-dihydropyridin-2-yl)methyl]butane-1,4-diamine
CID 156421148
(2R,3R)-2,3-dimethyl-N-[(3R,4E)-6-methyliminohexa-1,4-dien-3-yl]pent-4-en-1-amine
CID 169809449
1-(2,3-dihydropyridin-2-yl)-N-ethylpropan-1-amine
CID 144144914

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z)-3-methyl-N-propyl-4,7-dihydro-2H-azecin-3-amine?
The IUPAC name of (5Z,8Z)-3-methyl-N-propyl-4,7-dihydro-2H-azecin-3-amine (CID 142041410) is (5Z,8Z)-3-methyl-N-propyl-4,7-dihydro-2H-azecin-3-amine.
What is the SMILES notation for (5Z,8Z)-3-methyl-N-propyl-4,7-dihydro-2H-azecin-3-amine?
The canonical SMILES for (5Z,8Z)-3-methyl-N-propyl-4,7-dihydro-2H-azecin-3-amine is CCCNC1(C)C/C=C\C/C=C\C=N/C1.
What is the InChIKey of (5Z,8Z)-3-methyl-N-propyl-4,7-dihydro-2H-azecin-3-amine?
The InChIKey is KFCDAEQYCMBAMY-WAFZICQLSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-10-15-13(2)9-7-5-4-6-8-11-14-12-13/h5-8,11,15H,3-4,9-10,12H2,1-2H3/b7-5-,8-6-,14-11-.
What are the key properties of (5Z,8Z)-3-methyl-N-propyl-4,7-dihydro-2H-azecin-3-amine?
(5Z,8Z)-3-methyl-N-propyl-4,7-dihydro-2H-azecin-3-amine has a molecular weight of 206.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z)-3-methyl-N-propyl-4,7-dihydro-2H-azecin-3-amine is sourced from PubChem (CID 142041410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).