(E)-N-methyl-N-nonyl-3-pentylundec-2-en-1-amine

C26H53N — CID 137432392

IUPAC(E)-N-methyl-N-nonyl-3-pentylundec-2-en-1-amine
SMILESCCCCCCCCCN(C)C/C=C(\CCCCC)CCCCCCCC
InChIInChI=1S/C26H53N/c1-5-8-11-13-15-17-20-24-27(4)25-23-26(21-18-10-7-3)22-19-16-14-12-9-6-2/h23H,5-22,24-25H2,1-4H3/b26-23+
InChIKeyFJQRHTLGSUUTTM-WNAAXNPUSA-N
MW379.72 g/mol
LogP8.93
Rot. Bonds21

About (E)-N-methyl-N-nonyl-3-pentylundec-2-en-1-amine

(E)-N-methyl-N-nonyl-3-pentylundec-2-en-1-amine (PubChem CID 137432392) has the molecular formula C26H53N and a molecular weight of 379.72 g/mol. Its IUPAC name is (E)-N-methyl-N-nonyl-3-pentylundec-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-N-nonyl-3-pentylundec-2-en-1-amine
PubChem CID137432392
Molecular FormulaC26H53N
Molecular Weight379.72 g/mol
Exact Mass379.42
IUPAC Name(E)-N-methyl-N-nonyl-3-pentylundec-2-en-1-amine
SMILESCCCCCCCCCN(C)C/C=C(\CCCCC)CCCCCCCC
InChIInChI=1S/C26H53N/c1-5-8-11-13-15-17-20-24-27(4)25-23-26(21-18-10-7-3)22-19-16-14-12-9-6-2/h23H,5-22,24-25H2,1-4H3/b26-23+
InChIKeyFJQRHTLGSUUTTM-WNAAXNPUSA-N
XLogP8.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.72
LogP ≤ 58.93
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

(Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine
CID 87744529
N-methyl-N-prop-2-enylhexadecan-1-amine
CID 100953658
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-6-methylidene-N-octyloctadecan-1-amine
CID 154642833

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-nonyl-3-pentylundec-2-en-1-amine?
The IUPAC name of (E)-N-methyl-N-nonyl-3-pentylundec-2-en-1-amine (CID 137432392) is (E)-N-methyl-N-nonyl-3-pentylundec-2-en-1-amine.
What is the SMILES notation for (E)-N-methyl-N-nonyl-3-pentylundec-2-en-1-amine?
The canonical SMILES for (E)-N-methyl-N-nonyl-3-pentylundec-2-en-1-amine is CCCCCCCCCN(C)C/C=C(\CCCCC)CCCCCCCC.
What is the InChIKey of (E)-N-methyl-N-nonyl-3-pentylundec-2-en-1-amine?
The InChIKey is FJQRHTLGSUUTTM-WNAAXNPUSA-N. The full InChI is InChI=1S/C26H53N/c1-5-8-11-13-15-17-20-24-27(4)25-23-26(21-18-10-7-3)22-19-16-14-12-9-6-2/h23H,5-22,24-25H2,1-4H3/b26-23+.
What are the key properties of (E)-N-methyl-N-nonyl-3-pentylundec-2-en-1-amine?
(E)-N-methyl-N-nonyl-3-pentylundec-2-en-1-amine has a molecular weight of 379.72 g/mol, XLogP of 8.93, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-nonyl-3-pentylundec-2-en-1-amine is sourced from PubChem (CID 137432392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).