N-(5-amino-7-methyloctan-3-yl)formamide

C10H22N2O — CID 20725288

IUPACN-(5-amino-7-methyloctan-3-yl)formamide
SMILESCCC(CC(N)CC(C)C)NC=O
InChIInChI=1S/C10H22N2O/c1-4-10(12-7-13)6-9(11)5-8(2)3/h7-10H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyIMHABQWBAMCRDS-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.27
Rot. Bonds7

About N-(5-amino-7-methyloctan-3-yl)formamide

N-(5-amino-7-methyloctan-3-yl)formamide (PubChem CID 20725288) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-(5-amino-7-methyloctan-3-yl)formamide.

Molecular Properties

Compound NameN-(5-amino-7-methyloctan-3-yl)formamide
PubChem CID20725288
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-(5-amino-7-methyloctan-3-yl)formamide
SMILESCCC(CC(N)CC(C)C)NC=O
InChIInChI=1S/C10H22N2O/c1-4-10(12-7-13)6-9(11)5-8(2)3/h7-10H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyIMHABQWBAMCRDS-UHFFFAOYSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.27
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

Formamide, N-(1-methylheptyl)-
CID 11815987
Formamide, N-(2-propylpentyl)-
CID 218530
1-Methylheptylformamide
CID 5478865
N-1-methylheptylformamide
CID 5288319
N-[(1R)-1-cyclohexyl-ethyl]-formamide
CID 59836339
N-formylisoamylnonylamine
CID 21057306
6-Methylheptan-2-ylurea
CID 53900689
N-(1-cyclohexylethyl)formamide
CID 54513796
N-(2-methyldodecan-2-yl)formamide
CID 71736565
N-(3-Propyl-2-hexyl)formamide
CID 24838200
4-(Formylamino)-2,2,6,6-tetramethylpiperidine
CID 14419056
N-(2-ethylhexyl)formamide
CID 18451672

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-7-methyloctan-3-yl)formamide?
The IUPAC name of N-(5-amino-7-methyloctan-3-yl)formamide (CID 20725288) is N-(5-amino-7-methyloctan-3-yl)formamide.
What is the SMILES notation for N-(5-amino-7-methyloctan-3-yl)formamide?
The canonical SMILES for N-(5-amino-7-methyloctan-3-yl)formamide is CCC(CC(N)CC(C)C)NC=O.
What is the InChIKey of N-(5-amino-7-methyloctan-3-yl)formamide?
The InChIKey is IMHABQWBAMCRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-10(12-7-13)6-9(11)5-8(2)3/h7-10H,4-6,11H2,1-3H3,(H,12,13).
What are the key properties of N-(5-amino-7-methyloctan-3-yl)formamide?
N-(5-amino-7-methyloctan-3-yl)formamide has a molecular weight of 186.30 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-7-methyloctan-3-yl)formamide is sourced from PubChem (CID 20725288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).