N,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide

C36H75N7O — CID 11949663

IUPACN,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(CCCCCCCCN=C(N)N)CCCCCCCCN=C(N)N
InChIInChI=1S/C36H75N7O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-29-34(44)43(32-27-22-17-15-20-25-30-41-35(37)38)33-28-23-18-16-21-26-31-42-36(39)40/h2-33H2,1H3,(H4,37,38,41)(H4,39,40,42)
InChIKeyJAZPBYHDGQSXRX-UHFFFAOYSA-N
MW622.04 g/mol
LogP8.30
Rot. Bonds34

About N,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide

N,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide (PubChem CID 11949663) has the molecular formula C36H75N7O and a molecular weight of 622.04 g/mol. Its IUPAC name is N,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide.

Molecular Properties

Compound NameN,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide
PubChem CID11949663
Molecular FormulaC36H75N7O
Molecular Weight622.04 g/mol
Exact Mass621.60
IUPAC NameN,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(CCCCCCCCN=C(N)N)CCCCCCCCN=C(N)N
InChIInChI=1S/C36H75N7O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-29-34(44)43(32-27-22-17-15-20-25-30-41-35(37)38)33-28-23-18-16-21-26-31-42-36(39)40/h2-33H2,1H3,(H4,37,38,41)(H4,39,40,42)
InChIKeyJAZPBYHDGQSXRX-UHFFFAOYSA-N
XLogP8.30
TPSA149.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds34
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.04
LogP ≤ 58.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N',N'-dioctylhexanediamide
CID 53437404
N,N-dioctyltetradecanamide
CID 169083302
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N-butyl-N-octyldecanamide
CID 18913402
2-(6-oxohenicosyl)guanidine
CID 163454706
5-[[amino-(dioctadecylamino)methylidene]amino]pentanamide
CID 139836174
N,N-di(undecyl)pentanamide
CID 532896
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946
oxalic acid;2-tetradecylguanidine
CID 88685065
N,N-dipropylnonadecanamide
CID 12960009
N,N-di(undecyl)butanamide
CID 533369

Frequently Asked Questions

What is the IUPAC name of N,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide?
The IUPAC name of N,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide (CID 11949663) is N,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide.
What is the SMILES notation for N,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide?
The canonical SMILES for N,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)N(CCCCCCCCN=C(N)N)CCCCCCCCN=C(N)N.
What is the InChIKey of N,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide?
The InChIKey is JAZPBYHDGQSXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H75N7O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-29-34(44)43(32-27-22-17-15-20-25-30-41-35(37)38)33-28-23-18-16-21-26-31-42-36(39)40/h2-33H2,1H3,(H4,37,38,41)(H4,39,40,42).
What are the key properties of N,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide?
N,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide has a molecular weight of 622.04 g/mol, XLogP of 8.30, 34 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[8-(diaminomethylideneamino)octyl]octadecanamide is sourced from PubChem (CID 11949663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).