N-[2-[[(2Z)-penta-2,4-dienylidene]amino]ethyl]pentan-1-amine

C12H22N2 — CID 142587422

IUPACN-[2-[[(2Z)-penta-2,4-dienylidene]amino]ethyl]pentan-1-amine
SMILESC=C/C=C\C=N\CCNCCCCC
InChIInChI=1S/C12H22N2/c1-3-5-7-9-13-11-12-14-10-8-6-4-2/h3,5,7,9,14H,1,4,6,8,10-12H2,2H3/b7-5-,13-9+
InChIKeyKOCCGWHUCBSANQ-YNKPAJJNSA-N
MW194.32 g/mol
LogP2.58
Rot. Bonds9

About N-[2-[[(2Z)-penta-2,4-dienylidene]amino]ethyl]pentan-1-amine

N-[2-[[(2Z)-penta-2,4-dienylidene]amino]ethyl]pentan-1-amine (PubChem CID 142587422) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[2-[[(2Z)-penta-2,4-dienylidene]amino]ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-[[(2Z)-penta-2,4-dienylidene]amino]ethyl]pentan-1-amine
PubChem CID142587422
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[2-[[(2Z)-penta-2,4-dienylidene]amino]ethyl]pentan-1-amine
SMILESC=C/C=C\C=N\CCNCCCCC
InChIInChI=1S/C12H22N2/c1-3-5-7-9-13-11-12-14-10-8-6-4-2/h3,5,7,9,14H,1,4,6,8,10-12H2,2H3/b7-5-,13-9+
InChIKeyKOCCGWHUCBSANQ-YNKPAJJNSA-N
XLogP2.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.58
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2Z)-penta-2,4-dienylidene]amino]ethyl]pentan-1-amine?
The IUPAC name of N-[2-[[(2Z)-penta-2,4-dienylidene]amino]ethyl]pentan-1-amine (CID 142587422) is N-[2-[[(2Z)-penta-2,4-dienylidene]amino]ethyl]pentan-1-amine.
What is the SMILES notation for N-[2-[[(2Z)-penta-2,4-dienylidene]amino]ethyl]pentan-1-amine?
The canonical SMILES for N-[2-[[(2Z)-penta-2,4-dienylidene]amino]ethyl]pentan-1-amine is C=C/C=C\C=N\CCNCCCCC.
What is the InChIKey of N-[2-[[(2Z)-penta-2,4-dienylidene]amino]ethyl]pentan-1-amine?
The InChIKey is KOCCGWHUCBSANQ-YNKPAJJNSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-5-7-9-13-11-12-14-10-8-6-4-2/h3,5,7,9,14H,1,4,6,8,10-12H2,2H3/b7-5-,13-9+.
What are the key properties of N-[2-[[(2Z)-penta-2,4-dienylidene]amino]ethyl]pentan-1-amine?
N-[2-[[(2Z)-penta-2,4-dienylidene]amino]ethyl]pentan-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2Z)-penta-2,4-dienylidene]amino]ethyl]pentan-1-amine is sourced from PubChem (CID 142587422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).