N-ethyl-N-hexa-1,5-dien-2-yl-6-(propan-2-ylideneamino)hexa-2,4-dien-1-amine

C17H28N2 — CID 91049889

IUPACN-ethyl-N-hexa-1,5-dien-2-yl-6-(propan-2-ylideneamino)hexa-2,4-dien-1-amine
SMILESC=CCCC(=C)N(CC)CC=CC=CCN=C(C)C
InChIInChI=1S/C17H28N2/c1-6-8-13-17(5)19(7-2)15-12-10-9-11-14-18-16(3)4/h6,9-12H,1,5,7-8,13-15H2,2-4H3
InChIKeyFBZNUBCKYKWXTI-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.38
Rot. Bonds10

About N-ethyl-N-hexa-1,5-dien-2-yl-6-(propan-2-ylideneamino)hexa-2,4-dien-1-amine

N-ethyl-N-hexa-1,5-dien-2-yl-6-(propan-2-ylideneamino)hexa-2,4-dien-1-amine (PubChem CID 91049889) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-ethyl-N-hexa-1,5-dien-2-yl-6-(propan-2-ylideneamino)hexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-N-hexa-1,5-dien-2-yl-6-(propan-2-ylideneamino)hexa-2,4-dien-1-amine
PubChem CID91049889
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-ethyl-N-hexa-1,5-dien-2-yl-6-(propan-2-ylideneamino)hexa-2,4-dien-1-amine
SMILESC=CCCC(=C)N(CC)CC=CC=CCN=C(C)C
InChIInChI=1S/C17H28N2/c1-6-8-13-17(5)19(7-2)15-12-10-9-11-14-18-16(3)4/h6,9-12H,1,5,7-8,13-15H2,2-4H3
InChIKeyFBZNUBCKYKWXTI-UHFFFAOYSA-N
XLogP4.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-5-methylidene-N-(2-methyliminopropyl)hepta-1,3-dien-2-amine
CID 123335275
N-ethenyl-3,4-dimethyl-1-[(2E)-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-3-methylidenepyrrol-1-yl]pent-3-en-2-imine
CID 130349690
1,3,6-trimethyl-5-[(Z)-prop-1-enyl]-2H-pyrazine
CID 167084065
(2E)-N-methyl-3-methylidene-N-propan-2-yl-2-[1-(propan-2-ylideneamino)ethylidene]pent-4-en-1-amine
CID 170243964
(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine
CID 142919845
(3E)-5-ethylimino-N,N-dipropylhexa-1,3-dien-3-amine
CID 144075760
propan-2-yl-[(1Z)-2,2,2-trideuterio-1-[1-methyl-6-[N-propan-2-yl-C-(trideuteriomethyl)carbonimidoyl]-2-pyridinylidene]ethyl]azanide
CID 177442783
ethyl-[(1Z)-2,2,2-trideuterio-1-[6-[N-ethyl-C-(trideuteriomethyl)carbonimidoyl]-1-methyl-2-pyridinylidene]ethyl]azanide
CID 177485099

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-hexa-1,5-dien-2-yl-6-(propan-2-ylideneamino)hexa-2,4-dien-1-amine?
The IUPAC name of N-ethyl-N-hexa-1,5-dien-2-yl-6-(propan-2-ylideneamino)hexa-2,4-dien-1-amine (CID 91049889) is N-ethyl-N-hexa-1,5-dien-2-yl-6-(propan-2-ylideneamino)hexa-2,4-dien-1-amine.
What is the SMILES notation for N-ethyl-N-hexa-1,5-dien-2-yl-6-(propan-2-ylideneamino)hexa-2,4-dien-1-amine?
The canonical SMILES for N-ethyl-N-hexa-1,5-dien-2-yl-6-(propan-2-ylideneamino)hexa-2,4-dien-1-amine is C=CCCC(=C)N(CC)CC=CC=CCN=C(C)C.
What is the InChIKey of N-ethyl-N-hexa-1,5-dien-2-yl-6-(propan-2-ylideneamino)hexa-2,4-dien-1-amine?
The InChIKey is FBZNUBCKYKWXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-6-8-13-17(5)19(7-2)15-12-10-9-11-14-18-16(3)4/h6,9-12H,1,5,7-8,13-15H2,2-4H3.
What are the key properties of N-ethyl-N-hexa-1,5-dien-2-yl-6-(propan-2-ylideneamino)hexa-2,4-dien-1-amine?
N-ethyl-N-hexa-1,5-dien-2-yl-6-(propan-2-ylideneamino)hexa-2,4-dien-1-amine has a molecular weight of 260.43 g/mol, XLogP of 4.38, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-hexa-1,5-dien-2-yl-6-(propan-2-ylideneamino)hexa-2,4-dien-1-amine is sourced from PubChem (CID 91049889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).