N-[2-(ethylideneamino)ethyl]penta-2,4-dien-1-amine

C9H16N2 — CID 90867465

IUPACN-[2-(ethylideneamino)ethyl]penta-2,4-dien-1-amine
SMILESC=CC=CCNCC/N=C/C
InChIInChI=1S/C9H16N2/c1-3-5-6-7-11-9-8-10-4-2/h3-6,11H,1,7-9H2,2H3/b6-5?,10-4+
InChIKeyAXNXYQDXRRFWIY-QPXSKLCYSA-N
MW152.24 g/mol
LogP1.41
Rot. Bonds6

About N-[2-(ethylideneamino)ethyl]penta-2,4-dien-1-amine

N-[2-(ethylideneamino)ethyl]penta-2,4-dien-1-amine (PubChem CID 90867465) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-[2-(ethylideneamino)ethyl]penta-2,4-dien-1-amine.

Molecular Properties

Compound NameN-[2-(ethylideneamino)ethyl]penta-2,4-dien-1-amine
PubChem CID90867465
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-[2-(ethylideneamino)ethyl]penta-2,4-dien-1-amine
SMILESC=CC=CCNCC/N=C/C
InChIInChI=1S/C9H16N2/c1-3-5-6-7-11-9-8-10-4-2/h3-6,11H,1,7-9H2,2H3/b6-5?,10-4+
InChIKeyAXNXYQDXRRFWIY-QPXSKLCYSA-N
XLogP1.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.41
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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Related Compounds

N,N'-bis[(2E,4E)-hexa-2,4-dienyl]ethane-1,2-diamine
CID 22765269
N,N'-bis(hexa-2,4-dienyl)ethane-1,2-diamine
CID 54315835
N-buta-2,3-dienyl-4-(propylideneamino)but-2-en-1-amine
CID 57296669
(3Z,5Z)-4-(ethylideneamino)-N-methylhepta-1,3,5-trien-3-amine
CID 88986330
(2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine
CID 126695562
(2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine
CID 126695578
1-azacyclohepta-1,3,5,6-tetraene;N'-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142095766
ethane;N'-[(2E,4Z)-hepta-2,4,6-trienyl]-N-methylethane-1,2-diamine
CID 142112883
(2Z)-2-(ethylideneamino)-N-methylpenta-2,4-dien-1-amine
CID 142123452
(2E)-6-(ethylideneamino)hexa-2,4-dien-1-amine
CID 142226761
N-[2-[[(2Z)-penta-2,4-dienylidene]amino]ethyl]pentan-1-amine
CID 142587422
N'-[(3E)-5-methyliminopenta-1,3-dien-3-yl]ethane-1,2-diamine
CID 143099431

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylideneamino)ethyl]penta-2,4-dien-1-amine?
The IUPAC name of N-[2-(ethylideneamino)ethyl]penta-2,4-dien-1-amine (CID 90867465) is N-[2-(ethylideneamino)ethyl]penta-2,4-dien-1-amine.
What is the SMILES notation for N-[2-(ethylideneamino)ethyl]penta-2,4-dien-1-amine?
The canonical SMILES for N-[2-(ethylideneamino)ethyl]penta-2,4-dien-1-amine is C=CC=CCNCC/N=C/C.
What is the InChIKey of N-[2-(ethylideneamino)ethyl]penta-2,4-dien-1-amine?
The InChIKey is AXNXYQDXRRFWIY-QPXSKLCYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-5-6-7-11-9-8-10-4-2/h3-6,11H,1,7-9H2,2H3/b6-5?,10-4+.
What are the key properties of N-[2-(ethylideneamino)ethyl]penta-2,4-dien-1-amine?
N-[2-(ethylideneamino)ethyl]penta-2,4-dien-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylideneamino)ethyl]penta-2,4-dien-1-amine is sourced from PubChem (CID 90867465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).