N-butyl-N-nona-2,8-dienylnona-2,8-dien-1-amine

C22H39N — CID 142769563

IUPACN-butyl-N-nona-2,8-dienylnona-2,8-dien-1-amine
SMILESC=CCCCCC=CCN(CC=CCCCCC=C)CCCC
InChIInChI=1S/C22H39N/c1-4-7-10-12-14-16-18-21-23(20-9-6-3)22-19-17-15-13-11-8-5-2/h4-5,16-19H,1-2,6-15,20-22H2,3H3
InChIKeyWNJBCHGTFBTHKQ-UHFFFAOYSA-N
MW317.56 g/mol
LogP6.69
Rot. Bonds17

About N-butyl-N-nona-2,8-dienylnona-2,8-dien-1-amine

N-butyl-N-nona-2,8-dienylnona-2,8-dien-1-amine (PubChem CID 142769563) has the molecular formula C22H39N and a molecular weight of 317.56 g/mol. Its IUPAC name is N-butyl-N-nona-2,8-dienylnona-2,8-dien-1-amine.

Molecular Properties

Compound NameN-butyl-N-nona-2,8-dienylnona-2,8-dien-1-amine
PubChem CID142769563
Molecular FormulaC22H39N
Molecular Weight317.56 g/mol
Exact Mass317.31
IUPAC NameN-butyl-N-nona-2,8-dienylnona-2,8-dien-1-amine
SMILESC=CCCCCC=CCN(CC=CCCCCC=C)CCCC
InChIInChI=1S/C22H39N/c1-4-7-10-12-14-16-18-21-23(20-9-6-3)22-19-17-15-13-11-8-5-2/h4-5,16-19H,1-2,6-15,20-22H2,3H3
InChIKeyWNJBCHGTFBTHKQ-UHFFFAOYSA-N
XLogP6.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.56
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-dibutylocta-2,7-dien-1-amine
CID 5043810
N,N-dibutylhept-6-en-1-amine
CID 126749828
hexadeca-1,7,11-triene
CID 174048514
heptadeca-1,7-diene
CID 57204265
triaconta-1,19-diene
CID 54007897
pentacosa-1,16-diene
CID 57082437
pentaconta-1,25-diene
CID 90941740
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
(18Z)-heptacosa-1,18-diene
CID 14841085

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-nona-2,8-dienylnona-2,8-dien-1-amine?
The IUPAC name of N-butyl-N-nona-2,8-dienylnona-2,8-dien-1-amine (CID 142769563) is N-butyl-N-nona-2,8-dienylnona-2,8-dien-1-amine.
What is the SMILES notation for N-butyl-N-nona-2,8-dienylnona-2,8-dien-1-amine?
The canonical SMILES for N-butyl-N-nona-2,8-dienylnona-2,8-dien-1-amine is C=CCCCCC=CCN(CC=CCCCCC=C)CCCC.
What is the InChIKey of N-butyl-N-nona-2,8-dienylnona-2,8-dien-1-amine?
The InChIKey is WNJBCHGTFBTHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N/c1-4-7-10-12-14-16-18-21-23(20-9-6-3)22-19-17-15-13-11-8-5-2/h4-5,16-19H,1-2,6-15,20-22H2,3H3.
What are the key properties of N-butyl-N-nona-2,8-dienylnona-2,8-dien-1-amine?
N-butyl-N-nona-2,8-dienylnona-2,8-dien-1-amine has a molecular weight of 317.56 g/mol, XLogP of 6.69, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-nona-2,8-dienylnona-2,8-dien-1-amine is sourced from PubChem (CID 142769563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).