N-[1-(methylamino)hexan-3-yl]formamide

C8H18N2O — CID 142442002

IUPACN-[1-(methylamino)hexan-3-yl]formamide
SMILESCCCC(CCNC)NC=O
InChIInChI=1S/C8H18N2O/c1-3-4-8(10-7-11)5-6-9-2/h7-9H,3-6H2,1-2H3,(H,10,11)
InChIKeyKORYFLDTBBRPEM-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.51
Rot. Bonds7

About N-[1-(methylamino)hexan-3-yl]formamide

N-[1-(methylamino)hexan-3-yl]formamide (PubChem CID 142442002) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is N-[1-(methylamino)hexan-3-yl]formamide.

Molecular Properties

Compound NameN-[1-(methylamino)hexan-3-yl]formamide
PubChem CID142442002
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC NameN-[1-(methylamino)hexan-3-yl]formamide
SMILESCCCC(CCNC)NC=O
InChIInChI=1S/C8H18N2O/c1-3-4-8(10-7-11)5-6-9-2/h7-9H,3-6H2,1-2H3,(H,10,11)
InChIKeyKORYFLDTBBRPEM-UHFFFAOYSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(methylamino)hexan-3-yl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-heptan-4-ylformamide
CID 14473374
N-[1-(methylamino)pentan-3-yl]formamide
CID 143111562
N-octan-4-ylformamide
CID 22178839
N-nonan-4-ylformamide
CID 144801924
N-[(3R)-1-aminohexan-3-yl]formamide
CID 142102579
N-(2-formamidopentyl)formamide
CID 174514121
N-(1-methoxypentan-2-yl)formamide
CID 64991687
ethane;N-[3-(methylamino)hexyl]formamide
CID 142947106
N-(1-hydroxyhexan-2-yl)formamide
CID 91256811
N-(1-phenylpentan-2-yl)formamide
CID 87974467
N-(1-hydroxyoctadecan-2-yl)formamide
CID 15354101
N-(3-ethylhexan-2-yl)formamide
CID 154666034

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylamino)hexan-3-yl]formamide?
The IUPAC name of N-[1-(methylamino)hexan-3-yl]formamide (CID 142442002) is N-[1-(methylamino)hexan-3-yl]formamide.
What is the SMILES notation for N-[1-(methylamino)hexan-3-yl]formamide?
The canonical SMILES for N-[1-(methylamino)hexan-3-yl]formamide is CCCC(CCNC)NC=O.
What is the InChIKey of N-[1-(methylamino)hexan-3-yl]formamide?
The InChIKey is KORYFLDTBBRPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-4-8(10-7-11)5-6-9-2/h7-9H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-[1-(methylamino)hexan-3-yl]formamide?
N-[1-(methylamino)hexan-3-yl]formamide has a molecular weight of 158.25 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylamino)hexan-3-yl]formamide is sourced from PubChem (CID 142442002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).