N-[(3R)-1-aminohexan-3-yl]formamide

C7H16N2O — CID 142102579

IUPACN-[(3R)-1-aminohexan-3-yl]formamide
SMILESCCC[C@H](CCN)NC=O
InChIInChI=1S/C7H16N2O/c1-2-3-7(4-5-8)9-6-10/h6-7H,2-5,8H2,1H3,(H,9,10)/t7-/m1/s1
InChIKeyDAKCAGBYWFSBEG-SSDOTTSWSA-N
MW144.22 g/mol
LogP0.25
Rot. Bonds6

About N-[(3R)-1-aminohexan-3-yl]formamide

N-[(3R)-1-aminohexan-3-yl]formamide (PubChem CID 142102579) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is N-[(3R)-1-aminohexan-3-yl]formamide.

Molecular Properties

Compound NameN-[(3R)-1-aminohexan-3-yl]formamide
PubChem CID142102579
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC NameN-[(3R)-1-aminohexan-3-yl]formamide
SMILESCCC[C@H](CCN)NC=O
InChIInChI=1S/C7H16N2O/c1-2-3-7(4-5-8)9-6-10/h6-7H,2-5,8H2,1H3,(H,9,10)/t7-/m1/s1
InChIKeyDAKCAGBYWFSBEG-SSDOTTSWSA-N
XLogP0.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-heptan-4-ylformamide
CID 14473374
N-octan-4-ylformamide
CID 22178839
N-nonan-4-ylformamide
CID 144801924
N-[1-(methylamino)hexan-3-yl]formamide
CID 142442002
N-(2-formamidopentyl)formamide
CID 174514121
N-(1-methoxypentan-2-yl)formamide
CID 64991687
3-N-propylhexane-1,3-diamine
CID 88724695
N-(1-phenylpentan-2-yl)formamide
CID 87974467
N-(3-ethylhexan-2-yl)formamide
CID 154666034
N-(1-hydroxyhexan-2-yl)formamide
CID 91256811
N-(2,2-dimethylhexan-3-yl)formamide
CID 173284826
ethyl (2S)-6-amino-2-formamidohexanoate
CID 57231978

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-aminohexan-3-yl]formamide?
The IUPAC name of N-[(3R)-1-aminohexan-3-yl]formamide (CID 142102579) is N-[(3R)-1-aminohexan-3-yl]formamide.
What is the SMILES notation for N-[(3R)-1-aminohexan-3-yl]formamide?
The canonical SMILES for N-[(3R)-1-aminohexan-3-yl]formamide is CCC[C@H](CCN)NC=O.
What is the InChIKey of N-[(3R)-1-aminohexan-3-yl]formamide?
The InChIKey is DAKCAGBYWFSBEG-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16N2O/c1-2-3-7(4-5-8)9-6-10/h6-7H,2-5,8H2,1H3,(H,9,10)/t7-/m1/s1.
What are the key properties of N-[(3R)-1-aminohexan-3-yl]formamide?
N-[(3R)-1-aminohexan-3-yl]formamide has a molecular weight of 144.22 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-aminohexan-3-yl]formamide is sourced from PubChem (CID 142102579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).