4-ethyl-N,N-dimethyl-2-pentylnona-1,8-dien-1-amine

C18H35N — CID 123786169

IUPAC4-ethyl-N,N-dimethyl-2-pentylnona-1,8-dien-1-amine
SMILESC=CCCCC(CC)CC(=CN(C)C)CCCCC
InChIInChI=1S/C18H35N/c1-6-9-11-13-17(8-3)15-18(16-19(4)5)14-12-10-7-2/h6,16-17H,1,7-15H2,2-5H3
InChIKeyDNNXTTRLDZYDMB-UHFFFAOYSA-N
MW265.49 g/mol
LogP5.78
Rot. Bonds12

About 4-ethyl-N,N-dimethyl-2-pentylnona-1,8-dien-1-amine

4-ethyl-N,N-dimethyl-2-pentylnona-1,8-dien-1-amine (PubChem CID 123786169) has the molecular formula C18H35N and a molecular weight of 265.49 g/mol. Its IUPAC name is 4-ethyl-N,N-dimethyl-2-pentylnona-1,8-dien-1-amine.

Molecular Properties

Compound Name4-ethyl-N,N-dimethyl-2-pentylnona-1,8-dien-1-amine
PubChem CID123786169
Molecular FormulaC18H35N
Molecular Weight265.49 g/mol
Exact Mass265.28
IUPAC Name4-ethyl-N,N-dimethyl-2-pentylnona-1,8-dien-1-amine
SMILESC=CCCCC(CC)CC(=CN(C)C)CCCCC
InChIInChI=1S/C18H35N/c1-6-9-11-13-17(8-3)15-18(16-19(4)5)14-12-10-7-2/h6,16-17H,1,7-15H2,2-5H3
InChIKeyDNNXTTRLDZYDMB-UHFFFAOYSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.49
LogP ≤ 55.78
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-diethyl-3,7,11-trimethyldodec-1-en-1-amine
CID 170847923
(Z)-9-cyclopropyl-N,N-diethylnon-1-en-1-amine
CID 134894095
N,N,2-triethyldec-9-en-1-amine
CID 17825202
N,N,3,7,11,15-hexamethylhexadec-2-en-1-amine
CID 53710507
(E)-N,N,3,7,11,15-hexamethylhexadec-1-en-1-amine
CID 57171092
N,3,7,11-tetramethylhexadec-1-en-1-amine
CID 90980134
N-butan-2-yl-5-ethyl-N,3-dimethyloct-1-en-1-amine
CID 123425143
4-ethenyl-N,8-dimethyl-N-propylnonan-1-amine
CID 123434402
N,13-dimethyl-N-propyltetradec-1-en-1-amine
CID 123531654
5,7-diethyl-N,N,6,9,9-pentamethyldodeca-1,4-dien-1-amine
CID 123564735
(4,8-Diethyl-2,11-dimethyldodec-1-enyl)-methyl-methylideneazanium
CID 123634732
Trimethyl-(6-methyl-5-propylnon-1-enyl)azanium
CID 123748967

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,N-dimethyl-2-pentylnona-1,8-dien-1-amine?
The IUPAC name of 4-ethyl-N,N-dimethyl-2-pentylnona-1,8-dien-1-amine (CID 123786169) is 4-ethyl-N,N-dimethyl-2-pentylnona-1,8-dien-1-amine.
What is the SMILES notation for 4-ethyl-N,N-dimethyl-2-pentylnona-1,8-dien-1-amine?
The canonical SMILES for 4-ethyl-N,N-dimethyl-2-pentylnona-1,8-dien-1-amine is C=CCCCC(CC)CC(=CN(C)C)CCCCC.
What is the InChIKey of 4-ethyl-N,N-dimethyl-2-pentylnona-1,8-dien-1-amine?
The InChIKey is DNNXTTRLDZYDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-6-9-11-13-17(8-3)15-18(16-19(4)5)14-12-10-7-2/h6,16-17H,1,7-15H2,2-5H3.
What are the key properties of 4-ethyl-N,N-dimethyl-2-pentylnona-1,8-dien-1-amine?
4-ethyl-N,N-dimethyl-2-pentylnona-1,8-dien-1-amine has a molecular weight of 265.49 g/mol, XLogP of 5.78, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,N-dimethyl-2-pentylnona-1,8-dien-1-amine is sourced from PubChem (CID 123786169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).