N,N-dibutyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine

C28H53N3 — CID 69083457

IUPACN,N-dibutyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine
SMILESCCCCN(CCCC)C1/C=N\CCCN(C2CCC/C=C\CCCCC2)CCCC1
InChIInChI=1S/C28H53N3/c1-3-5-22-31(23-6-4-2)28-20-15-16-24-30(25-17-21-29-26-28)27-18-13-11-9-7-8-10-12-14-19-27/h7,9,26-28H,3-6,8,10-25H2,1-2H3/b9-7-,29-26-
InChIKeyNJQZHDSZDYQCAO-IVYBYJICSA-N
MW431.75 g/mol
LogP7.26
Rot. Bonds8

About N,N-dibutyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine

N,N-dibutyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine (PubChem CID 69083457) has the molecular formula C28H53N3 and a molecular weight of 431.75 g/mol. Its IUPAC name is N,N-dibutyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine.

Molecular Properties

Compound NameN,N-dibutyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine
PubChem CID69083457
Molecular FormulaC28H53N3
Molecular Weight431.75 g/mol
Exact Mass431.42
IUPAC NameN,N-dibutyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine
SMILESCCCCN(CCCC)C1/C=N\CCCN(C2CCC/C=C\CCCCC2)CCCC1
InChIInChI=1S/C28H53N3/c1-3-5-22-31(23-6-4-2)28-20-15-16-24-30(25-17-21-29-26-28)27-18-13-11-9-7-8-10-12-14-19-27/h7,9,26-28H,3-6,8,10-25H2,1-2H3/b9-7-,29-26-
InChIKeyNJQZHDSZDYQCAO-IVYBYJICSA-N
XLogP7.26
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.75
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-ene
CID 66608808
3-[[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-ylidene]amino]-N,N-dimethylpropan-1-amine
CID 58069680
(2Z)-1-nonylidene-2-[2-[(2E)-1-nonylidene-1-azoniacycloundec-2-en-2-yl]ethyl]-1-azoniacycloundec-2-ene
CID 58954471
1-Cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene
CID 66608809
N-butyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine
CID 67812025
Disodium;1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-ene;carbonate
CID 68754681
N,N-dibutyl-1-cycloundec-5-en-1-yl-1,5-diazacycloundec-5-en-7-amine
CID 69083458
5-Cyclonon-5-en-1-yl-2,3,4,6,7,8-hexahydro-1,5-diazonine
CID 69284078
1-[(Z)-octadec-9-enyl]-2H-pyrazine
CID 70017789
3-Cyclonon-3-en-1-yl-2,4,5,6,7,8-hexahydro-1,3-diazonine
CID 70499445
(6Z,9Z,28Z,31Z)-N-methyl-N-[3-(3H-pyrrol-5-yl)propyl]heptatriaconta-6,9,28,31-tetraen-19-amine
CID 117754037
4-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]imino-N,N-dimethylcyclohexan-1-amine
CID 118391266

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine?
The IUPAC name of N,N-dibutyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine (CID 69083457) is N,N-dibutyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine.
What is the SMILES notation for N,N-dibutyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine?
The canonical SMILES for N,N-dibutyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine is CCCCN(CCCC)C1/C=N\CCCN(C2CCC/C=C\CCCCC2)CCCC1.
What is the InChIKey of N,N-dibutyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine?
The InChIKey is NJQZHDSZDYQCAO-IVYBYJICSA-N. The full InChI is InChI=1S/C28H53N3/c1-3-5-22-31(23-6-4-2)28-20-15-16-24-30(25-17-21-29-26-28)27-18-13-11-9-7-8-10-12-14-19-27/h7,9,26-28H,3-6,8,10-25H2,1-2H3/b9-7-,29-26-.
What are the key properties of N,N-dibutyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine?
N,N-dibutyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine has a molecular weight of 431.75 g/mol, XLogP of 7.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1-[(5Z)-cycloundec-5-en-1-yl]-1,5-diazacycloundec-5-en-7-amine is sourced from PubChem (CID 69083457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).