N-(3-amino-3-methylbutan-2-yl)formamide

C6H14N2O — CID 57072846

IUPACN-(3-amino-3-methylbutan-2-yl)formamide
SMILESCC(NC=O)C(C)(C)N
InChIInChI=1S/C6H14N2O/c1-5(8-4-9)6(2,3)7/h4-5H,7H2,1-3H3,(H,8,9)
InChIKeyNYWSOUUXXCWBBS-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.14
Rot. Bonds3

About N-(3-amino-3-methylbutan-2-yl)formamide

N-(3-amino-3-methylbutan-2-yl)formamide (PubChem CID 57072846) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is N-(3-amino-3-methylbutan-2-yl)formamide.

Molecular Properties

Compound NameN-(3-amino-3-methylbutan-2-yl)formamide
PubChem CID57072846
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameN-(3-amino-3-methylbutan-2-yl)formamide
SMILESCC(NC=O)C(C)(C)N
InChIInChI=1S/C6H14N2O/c1-5(8-4-9)6(2,3)7/h4-5H,7H2,1-3H3,(H,8,9)
InChIKeyNYWSOUUXXCWBBS-UHFFFAOYSA-N
XLogP-0.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-methylbutan-2-yl)formamide?
The IUPAC name of N-(3-amino-3-methylbutan-2-yl)formamide (CID 57072846) is N-(3-amino-3-methylbutan-2-yl)formamide.
What is the SMILES notation for N-(3-amino-3-methylbutan-2-yl)formamide?
The canonical SMILES for N-(3-amino-3-methylbutan-2-yl)formamide is CC(NC=O)C(C)(C)N.
What is the InChIKey of N-(3-amino-3-methylbutan-2-yl)formamide?
The InChIKey is NYWSOUUXXCWBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-5(8-4-9)6(2,3)7/h4-5H,7H2,1-3H3,(H,8,9).
What are the key properties of N-(3-amino-3-methylbutan-2-yl)formamide?
N-(3-amino-3-methylbutan-2-yl)formamide has a molecular weight of 130.19 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-methylbutan-2-yl)formamide is sourced from PubChem (CID 57072846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).