10-butylidene-4-[3-(methylideneamino)propyl]hexadecan-1-amine

C24H48N2 — CID 91406435

IUPAC10-butylidene-4-[3-(methylideneamino)propyl]hexadecan-1-amine
SMILESC=NCCCC(CCCN)CCCCCC(=CCCC)CCCCCC
InChIInChI=1S/C24H48N2/c1-4-6-8-10-16-23(15-7-5-2)17-11-9-12-18-24(19-13-21-25)20-14-22-26-3/h15,24H,3-14,16-22,25H2,1-2H3
InChIKeyDHCYMOYRRAHSED-UHFFFAOYSA-N
MW364.66 g/mol
LogP7.47
Rot. Bonds20

About 10-butylidene-4-[3-(methylideneamino)propyl]hexadecan-1-amine

10-butylidene-4-[3-(methylideneamino)propyl]hexadecan-1-amine (PubChem CID 91406435) has the molecular formula C24H48N2 and a molecular weight of 364.66 g/mol. Its IUPAC name is 10-butylidene-4-[3-(methylideneamino)propyl]hexadecan-1-amine.

Molecular Properties

Compound Name10-butylidene-4-[3-(methylideneamino)propyl]hexadecan-1-amine
PubChem CID91406435
Molecular FormulaC24H48N2
Molecular Weight364.66 g/mol
Exact Mass364.38
IUPAC Name10-butylidene-4-[3-(methylideneamino)propyl]hexadecan-1-amine
SMILESC=NCCCC(CCCN)CCCCCC(=CCCC)CCCCCC
InChIInChI=1S/C24H48N2/c1-4-6-8-10-16-23(15-7-5-2)17-11-9-12-18-24(19-13-21-25)20-14-22-26-3/h15,24H,3-14,16-22,25H2,1-2H3
InChIKeyDHCYMOYRRAHSED-UHFFFAOYSA-N
XLogP7.47
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 57.47
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-Butan-2-yl-5-ethyl-8-fluoro-10-methylidene-1-(methylideneamino)tridec-11-en-1-amine
CID 123531742
[3,5-Bis(aminomethyl)-4-(2,6-dimethylheptylidene)cyclohexyl]methanamine
CID 20496989
5-(2,6-Dimethylhepta-1,5-dienyl)-8,12-dimethyltrideca-7,11-dien-1-amine
CID 57047712
2-Pentyltrideca-4,8-diene-1,11-diamine
CID 57223971
(10E)-9-[(E)-non-3-enyl]-10-[(E)-non-3-enylidene]octadecane-1,18-diamine
CID 58420835
9-Non-3-enyl-10-non-3-enylideneoctadecane-1,18-diamine
CID 76781588
(12Z,15Z)-2-nonylhenicosa-12,15-dien-1-amine
CID 87171499
(Z)-3,16-dimethyloctadec-9-en-1-amine
CID 87396265
(E)-2-ethyloctadec-9-en-1-amine
CID 87547225
(E)-2-propyloctadec-9-en-1-amine
CID 87548227
(Z)-19-methyltricos-9-en-1-amine
CID 87755811
5,10-bis[(Z)-octadec-9-enyl]tetradecane-1,14-diamine
CID 88158369

Frequently Asked Questions

What is the IUPAC name of 10-butylidene-4-[3-(methylideneamino)propyl]hexadecan-1-amine?
The IUPAC name of 10-butylidene-4-[3-(methylideneamino)propyl]hexadecan-1-amine (CID 91406435) is 10-butylidene-4-[3-(methylideneamino)propyl]hexadecan-1-amine.
What is the SMILES notation for 10-butylidene-4-[3-(methylideneamino)propyl]hexadecan-1-amine?
The canonical SMILES for 10-butylidene-4-[3-(methylideneamino)propyl]hexadecan-1-amine is C=NCCCC(CCCN)CCCCCC(=CCCC)CCCCCC.
What is the InChIKey of 10-butylidene-4-[3-(methylideneamino)propyl]hexadecan-1-amine?
The InChIKey is DHCYMOYRRAHSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2/c1-4-6-8-10-16-23(15-7-5-2)17-11-9-12-18-24(19-13-21-25)20-14-22-26-3/h15,24H,3-14,16-22,25H2,1-2H3.
What are the key properties of 10-butylidene-4-[3-(methylideneamino)propyl]hexadecan-1-amine?
10-butylidene-4-[3-(methylideneamino)propyl]hexadecan-1-amine has a molecular weight of 364.66 g/mol, XLogP of 7.47, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butylidene-4-[3-(methylideneamino)propyl]hexadecan-1-amine is sourced from PubChem (CID 91406435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).