ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine;pentan-1-amine

C14H30N2 — CID 142193447

IUPACethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine;pentan-1-amine
SMILESC=N/C=C\C(C)=C/C.CC.CCCCCN
InChIInChI=1S/C7H11N.C5H13N.C2H6/c1-4-7(2)5-6-8-3;1-2-3-4-5-6;1-2/h4-6H,3H2,1-2H3;2-6H2,1H3;1-2H3/b6-5-,7-4-;;
InChIKeyZZLLRKXSOBZRDN-CWBRYBGWSA-N
MW226.41 g/mol
LogP4.33
Rot. Bonds5

About ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine;pentan-1-amine

ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine;pentan-1-amine (PubChem CID 142193447) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine;pentan-1-amine.

Molecular Properties

Compound Nameethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine;pentan-1-amine
PubChem CID142193447
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Nameethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine;pentan-1-amine
SMILESC=N/C=C\C(C)=C/C.CC.CCCCCN
InChIInChI=1S/C7H11N.C5H13N.C2H6/c1-4-7(2)5-6-8-3;1-2-3-4-5-6;1-2/h4-6H,3H2,1-2H3;2-6H2,1H3;1-2H3/b6-5-,7-4-;;
InChIKeyZZLLRKXSOBZRDN-CWBRYBGWSA-N
XLogP4.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 54.33
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

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tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
hexadecan-1-amine;propan-2-one
CID 175396285
N,N-dimethylmethanamine;tetradecan-1-amine
CID 172778016
dodecan-1-amine;ethene;hydrate
CID 174440124
N,N-dimethylmethanamine;heptan-1-amine
CID 172839384
butan-1-amine;prop-1-ene
CID 87407220

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine;pentan-1-amine?
The IUPAC name of ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine;pentan-1-amine (CID 142193447) is ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine;pentan-1-amine.
What is the SMILES notation for ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine;pentan-1-amine?
The canonical SMILES for ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine;pentan-1-amine is C=N/C=C\C(C)=C/C.CC.CCCCCN.
What is the InChIKey of ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine;pentan-1-amine?
The InChIKey is ZZLLRKXSOBZRDN-CWBRYBGWSA-N. The full InChI is InChI=1S/C7H11N.C5H13N.C2H6/c1-4-7(2)5-6-8-3;1-2-3-4-5-6;1-2/h4-6H,3H2,1-2H3;2-6H2,1H3;1-2H3/b6-5-,7-4-;;.
What are the key properties of ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine;pentan-1-amine?
ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine;pentan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z,3Z)-3-methylpenta-1,3-dienyl]methanimine;pentan-1-amine is sourced from PubChem (CID 142193447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).