methyl(pentan-3-yl)cyanamide

C7H14N2 — CID 87839420

IUPACmethyl(pentan-3-yl)cyanamide
SMILESCCC(CC)N(C)C#N
InChIInChI=1S/C7H14N2/c1-4-7(5-2)9(3)6-8/h7H,4-5H2,1-3H3
InChIKeyHALIOFLQHHFRIF-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.59
Rot. Bonds3

About methyl(pentan-3-yl)cyanamide

methyl(pentan-3-yl)cyanamide (PubChem CID 87839420) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is methyl(pentan-3-yl)cyanamide.

Molecular Properties

Compound Namemethyl(pentan-3-yl)cyanamide
PubChem CID87839420
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Namemethyl(pentan-3-yl)cyanamide
SMILESCCC(CC)N(C)C#N
InChIInChI=1S/C7H14N2/c1-4-7(5-2)9(3)6-8/h7H,4-5H2,1-3H3
InChIKeyHALIOFLQHHFRIF-UHFFFAOYSA-N
XLogP1.59
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

1-hydroxypropan-2-yl(methyl)cyanamide
CID 104551890
3-[methyl(pentan-3-yl)amino]pentanenitrile
CID 43571085
hexan-2-yl(methyl)cyanamide
CID 130581220
4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile
CID 123736635
3-[1-methoxypropan-2-yl(methyl)amino]pentanenitrile
CID 61451674
3-[cyclopentyl(methyl)amino]pentanenitrile
CID 43267163
3-[ethyl(propan-2-yl)amino]pentanenitrile
CID 43265764
3-[azetidin-3-yl(methyl)amino]pentanenitrile
CID 66182687
2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile
CID 106709842
2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 62877708
N'-methyl-N'-pentan-3-ylmethanediamine
CID 58780835
3-(dimethylamino)-2-ethylpentanenitrile
CID 116913659

Frequently Asked Questions

What is the IUPAC name of methyl(pentan-3-yl)cyanamide?
The IUPAC name of methyl(pentan-3-yl)cyanamide (CID 87839420) is methyl(pentan-3-yl)cyanamide.
What is the SMILES notation for methyl(pentan-3-yl)cyanamide?
The canonical SMILES for methyl(pentan-3-yl)cyanamide is CCC(CC)N(C)C#N.
What is the InChIKey of methyl(pentan-3-yl)cyanamide?
The InChIKey is HALIOFLQHHFRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-7(5-2)9(3)6-8/h7H,4-5H2,1-3H3.
What are the key properties of methyl(pentan-3-yl)cyanamide?
methyl(pentan-3-yl)cyanamide has a molecular weight of 126.20 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(pentan-3-yl)cyanamide is sourced from PubChem (CID 87839420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).