formonitrile;N-hepta-1,6-dien-4-yl-N-prop-2-enyldodecan-1-amine

C23H42N2 — CID 88799843

IUPACformonitrile;N-hepta-1,6-dien-4-yl-N-prop-2-enyldodecan-1-amine
SMILESC#N.C=CCC(CC=C)N(CC=C)CCCCCCCCCCCC
InChIInChI=1S/C22H41N.CHN/c1-5-9-10-11-12-13-14-15-16-17-21-23(20-8-4)22(18-6-2)19-7-3;1-2/h6-8,22H,2-5,9-21H2,1H3;1H
InChIKeyJUBIEAZZLYXPNS-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.06
Rot. Bonds18

About formonitrile;N-hepta-1,6-dien-4-yl-N-prop-2-enyldodecan-1-amine

formonitrile;N-hepta-1,6-dien-4-yl-N-prop-2-enyldodecan-1-amine (PubChem CID 88799843) has the molecular formula C23H42N2 and a molecular weight of 346.60 g/mol. Its IUPAC name is formonitrile;N-hepta-1,6-dien-4-yl-N-prop-2-enyldodecan-1-amine.

Molecular Properties

Compound Nameformonitrile;N-hepta-1,6-dien-4-yl-N-prop-2-enyldodecan-1-amine
PubChem CID88799843
Molecular FormulaC23H42N2
Molecular Weight346.60 g/mol
Exact Mass346.33
IUPAC Nameformonitrile;N-hepta-1,6-dien-4-yl-N-prop-2-enyldodecan-1-amine
SMILESC#N.C=CCC(CC=C)N(CC=C)CCCCCCCCCCCC
InChIInChI=1S/C22H41N.CHN/c1-5-9-10-11-12-13-14-15-16-17-21-23(20-8-4)22(18-6-2)19-7-3;1-2/h6-8,22H,2-5,9-21H2,1H3;1H
InChIKeyJUBIEAZZLYXPNS-UHFFFAOYSA-N
XLogP7.06
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
N-methyl-N-prop-2-enylhexadecan-1-amine
CID 100953658
N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
CID 88725807
N-methyl-N-prop-2-enylhenicosan-11-amine
CID 174654754
N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride
CID 173181442
2-[methyl(pentyl)amino]pent-4-ene-1-sulfonic acid
CID 174712619
N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride
CID 174528085
N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 174680920
formonitrile;octane
CID 146309185
[butyl(hepta-1,6-dien-4-yl)amino]-dodecyl-dimethylazanium;bromide;hydrochloride
CID 173281555
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
4-prop-2-enylpentadec-1-ene
CID 54427529

Frequently Asked Questions

What is the IUPAC name of formonitrile;N-hepta-1,6-dien-4-yl-N-prop-2-enyldodecan-1-amine?
The IUPAC name of formonitrile;N-hepta-1,6-dien-4-yl-N-prop-2-enyldodecan-1-amine (CID 88799843) is formonitrile;N-hepta-1,6-dien-4-yl-N-prop-2-enyldodecan-1-amine.
What is the SMILES notation for formonitrile;N-hepta-1,6-dien-4-yl-N-prop-2-enyldodecan-1-amine?
The canonical SMILES for formonitrile;N-hepta-1,6-dien-4-yl-N-prop-2-enyldodecan-1-amine is C#N.C=CCC(CC=C)N(CC=C)CCCCCCCCCCCC.
What is the InChIKey of formonitrile;N-hepta-1,6-dien-4-yl-N-prop-2-enyldodecan-1-amine?
The InChIKey is JUBIEAZZLYXPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N.CHN/c1-5-9-10-11-12-13-14-15-16-17-21-23(20-8-4)22(18-6-2)19-7-3;1-2/h6-8,22H,2-5,9-21H2,1H3;1H.
What are the key properties of formonitrile;N-hepta-1,6-dien-4-yl-N-prop-2-enyldodecan-1-amine?
formonitrile;N-hepta-1,6-dien-4-yl-N-prop-2-enyldodecan-1-amine has a molecular weight of 346.60 g/mol, XLogP of 7.06, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;N-hepta-1,6-dien-4-yl-N-prop-2-enyldodecan-1-amine is sourced from PubChem (CID 88799843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).