N-(1-aminohexyl)-N-formylformamide

C8H16N2O2 — CID 88703874

IUPACN-(1-aminohexyl)-N-formylformamide
SMILESCCCCCC(N)N(C=O)C=O
InChIInChI=1S/C8H16N2O2/c1-2-3-4-5-8(9)10(6-11)7-12/h6-8H,2-5,9H2,1H3
InChIKeyXZFGKSBKQDWRPE-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.47
Rot. Bonds7

About N-(1-aminohexyl)-N-formylformamide

N-(1-aminohexyl)-N-formylformamide (PubChem CID 88703874) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-(1-aminohexyl)-N-formylformamide.

Molecular Properties

Compound NameN-(1-aminohexyl)-N-formylformamide
PubChem CID88703874
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-(1-aminohexyl)-N-formylformamide
SMILESCCCCCC(N)N(C=O)C=O
InChIInChI=1S/C8H16N2O2/c1-2-3-4-5-8(9)10(6-11)7-12/h6-8H,2-5,9H2,1H3
InChIKeyXZFGKSBKQDWRPE-UHFFFAOYSA-N
XLogP0.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N',1-N'-dimethylhexane-1,1-diamine
CID 11857682
2-aminooctanal
CID 54076326
4-aminopentadecanal
CID 91108576
N-methyl-N-pentadecan-6-ylformamide
CID 89274387
N,N-dimethylformamide;dodecane
CID 174900991
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
1-N',1-N'-dimethylpentane-1,1-diamine
CID 18183747
1-aminooctyl-λ2-plumbane
CID 173111420
3-amino-2-methylicosanal
CID 175546884
1-aminooctyl formate
CID 174824755
1-N'-butyl-1-N'-methylpentane-1,1-diamine
CID 91621881

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexyl)-N-formylformamide?
The IUPAC name of N-(1-aminohexyl)-N-formylformamide (CID 88703874) is N-(1-aminohexyl)-N-formylformamide.
What is the SMILES notation for N-(1-aminohexyl)-N-formylformamide?
The canonical SMILES for N-(1-aminohexyl)-N-formylformamide is CCCCCC(N)N(C=O)C=O.
What is the InChIKey of N-(1-aminohexyl)-N-formylformamide?
The InChIKey is XZFGKSBKQDWRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-3-4-5-8(9)10(6-11)7-12/h6-8H,2-5,9H2,1H3.
What are the key properties of N-(1-aminohexyl)-N-formylformamide?
N-(1-aminohexyl)-N-formylformamide has a molecular weight of 172.23 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexyl)-N-formylformamide is sourced from PubChem (CID 88703874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).