4-(iminomethylideneamino)-N,N-dimethylpentan-1-amine;octadecanoic acid

C26H53N3O2 — CID 174947314

IUPAC4-(iminomethylideneamino)-N,N-dimethylpentan-1-amine;octadecanoic acid
SMILESCC(CCCN(C)C)N=C=N.CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O2.C8H17N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-8(10-7-9)5-4-6-11(2)3/h2-17H2,1H3,(H,19,20);8-9H,4-6H2,1-3H3
InChIKeyDNOIVDYWORNFEJ-UHFFFAOYSA-N
MW439.73 g/mol
LogP7.80
Rot. Bonds21

About 4-(iminomethylideneamino)-N,N-dimethylpentan-1-amine;octadecanoic acid

4-(iminomethylideneamino)-N,N-dimethylpentan-1-amine;octadecanoic acid (PubChem CID 174947314) has the molecular formula C26H53N3O2 and a molecular weight of 439.73 g/mol. Its IUPAC name is 4-(iminomethylideneamino)-N,N-dimethylpentan-1-amine;octadecanoic acid.

Molecular Properties

Compound Name4-(iminomethylideneamino)-N,N-dimethylpentan-1-amine;octadecanoic acid
PubChem CID174947314
Molecular FormulaC26H53N3O2
Molecular Weight439.73 g/mol
Exact Mass439.41
IUPAC Name4-(iminomethylideneamino)-N,N-dimethylpentan-1-amine;octadecanoic acid
SMILESCC(CCCN(C)C)N=C=N.CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O2.C8H17N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-8(10-7-9)5-4-6-11(2)3/h2-17H2,1H3,(H,19,20);8-9H,4-6H2,1-3H3
InChIKeyDNOIVDYWORNFEJ-UHFFFAOYSA-N
XLogP7.80
TPSA76.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.73
LogP ≤ 57.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylicosan-1-amine;hexanoic acid
CID 174595283
bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc
CID 175605017
11-isocyanatododecanoic acid
CID 21452299
10-isocyanatoundecanoic acid;hydrochloride
CID 88827021
decanoic acid;N',N'-dimethylpropane-1,3-diamine
CID 172855493
N',N'-dimethylpropane-1,3-diamine;octanoic acid
CID 172808646
2-(dimethylamino)ethanol;octacosanoic acid
CID 71441848
N,N-dimethylmethanamine;octanoic acid
CID 173098896
hexadecanoic acid;indigane
CID 173026734
heptanoic acid;indigane
CID 173230324
decanoic acid;1-(dimethylamino)ethanol
CID 173031587
docosanoic acid;N,N',N'-trimethylpropane-1,3-diamine
CID 172819174

Frequently Asked Questions

What is the IUPAC name of 4-(iminomethylideneamino)-N,N-dimethylpentan-1-amine;octadecanoic acid?
The IUPAC name of 4-(iminomethylideneamino)-N,N-dimethylpentan-1-amine;octadecanoic acid (CID 174947314) is 4-(iminomethylideneamino)-N,N-dimethylpentan-1-amine;octadecanoic acid.
What is the SMILES notation for 4-(iminomethylideneamino)-N,N-dimethylpentan-1-amine;octadecanoic acid?
The canonical SMILES for 4-(iminomethylideneamino)-N,N-dimethylpentan-1-amine;octadecanoic acid is CC(CCCN(C)C)N=C=N.CCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 4-(iminomethylideneamino)-N,N-dimethylpentan-1-amine;octadecanoic acid?
The InChIKey is DNOIVDYWORNFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C8H17N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-8(10-7-9)5-4-6-11(2)3/h2-17H2,1H3,(H,19,20);8-9H,4-6H2,1-3H3.
What are the key properties of 4-(iminomethylideneamino)-N,N-dimethylpentan-1-amine;octadecanoic acid?
4-(iminomethylideneamino)-N,N-dimethylpentan-1-amine;octadecanoic acid has a molecular weight of 439.73 g/mol, XLogP of 7.80, 21 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iminomethylideneamino)-N,N-dimethylpentan-1-amine;octadecanoic acid is sourced from PubChem (CID 174947314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).