ethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine

C17H34N2 — CID 143221976

IUPACethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine
SMILESC=C/C=C(\C=C/C)C/C=N/C.CC.CCCCCN
InChIInChI=1S/C10H15N.C5H13N.C2H6/c1-4-6-10(7-5-2)8-9-11-3;1-2-3-4-5-6;1-2/h4-7,9H,1,8H2,2-3H3;2-6H2,1H3;1-2H3/b7-5-,10-6+,11-9+;;
InChIKeyGNFMVFRJKDFJOF-NNCMNZOOSA-N
MW266.47 g/mol
LogP4.93
Rot. Bonds7

About ethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine

ethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine (PubChem CID 143221976) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is ethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine.

Molecular Properties

Compound Nameethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine
PubChem CID143221976
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Nameethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine
SMILESC=C/C=C(\C=C/C)C/C=N/C.CC.CCCCCN
InChIInChI=1S/C10H15N.C5H13N.C2H6/c1-4-6-10(7-5-2)8-9-11-3;1-2-3-4-5-6;1-2/h4-7,9H,1,8H2,2-3H3;2-6H2,1H3;1-2H3/b7-5-,10-6+,11-9+;;
InChIKeyGNFMVFRJKDFJOF-NNCMNZOOSA-N
XLogP4.93
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.93
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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Launch Full Analysis

Related Compounds

3-(3H-azepin-5-yl)propan-1-amine
CID 57125134
N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine
CID 70417806
(3Z,5Z)-N-[(5Z,7Z)-12-[[(2Z,4Z)-2-methylhexa-2,4-dienylidene]amino]dodeca-5,7-dienyl]hepta-3,5-dien-2-imine
CID 122582714
(4Z)-4-(2-iminoethyl)hepta-4,6-dien-1-amine
CID 123670318
(Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine
CID 123691013
(E,3E)-3-ethylidene-2-(methyliminomethyl)oct-5-en-1-amine
CID 126536282
(Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine
CID 134485431
2-[[(Z)-2-methyl-4-methylidenehept-5-enylidene]amino]ethanamine
CID 137399818
(4Z,6E)-2-methylidene-9-methylimino-N-propan-2-yl-4-[(Z)-prop-1-enyl]nona-4,6-dien-1-amine
CID 138528196
ethane;N-[(2E)-2-ethenylhepta-2,4-dienyl]methanimine;(3Z)-3-ethenylhexa-3,5-dien-1-amine
CID 142317481
ethane;4-ethyl-3-(ethylideneamino)-2-[(2Z)-penta-2,4-dien-2-yl]cyclohexa-1,3-dien-1-amine
CID 143767816
(3Z,6E,8Z)-10-methylimino-6-prop-2-enylidenedeca-3,8-dien-1-amine
CID 143776829

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine?
The IUPAC name of ethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine (CID 143221976) is ethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine.
What is the SMILES notation for ethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine?
The canonical SMILES for ethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine is C=C/C=C(\C=C/C)C/C=N/C.CC.CCCCCN.
What is the InChIKey of ethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine?
The InChIKey is GNFMVFRJKDFJOF-NNCMNZOOSA-N. The full InChI is InChI=1S/C10H15N.C5H13N.C2H6/c1-4-6-10(7-5-2)8-9-11-3;1-2-3-4-5-6;1-2/h4-7,9H,1,8H2,2-3H3;2-6H2,1H3;1-2H3/b7-5-,10-6+,11-9+;;.
What are the key properties of ethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine?
ethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine is sourced from PubChem (CID 143221976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).