N,N-bis(3-amino-3-methylbutyl)formamide

C11H25N3O — CID 87899057

IUPACN,N-bis(3-amino-3-methylbutyl)formamide
SMILESCC(C)(N)CCN(C=O)CCC(C)(C)N
InChIInChI=1S/C11H25N3O/c1-10(2,12)5-7-14(9-15)8-6-11(3,4)13/h9H,5-8,12-13H2,1-4H3
InChIKeyZETMIBQPGFHANB-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.70
Rot. Bonds7

About N,N-bis(3-amino-3-methylbutyl)formamide

N,N-bis(3-amino-3-methylbutyl)formamide (PubChem CID 87899057) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is N,N-bis(3-amino-3-methylbutyl)formamide.

Molecular Properties

Compound NameN,N-bis(3-amino-3-methylbutyl)formamide
PubChem CID87899057
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC NameN,N-bis(3-amino-3-methylbutyl)formamide
SMILESCC(C)(N)CCN(C=O)CCC(C)(C)N
InChIInChI=1S/C11H25N3O/c1-10(2,12)5-7-14(9-15)8-6-11(3,4)13/h9H,5-8,12-13H2,1-4H3
InChIKeyZETMIBQPGFHANB-UHFFFAOYSA-N
XLogP0.70
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,N-bis(3-amino-3-methylbutyl)formamide?
The IUPAC name of N,N-bis(3-amino-3-methylbutyl)formamide (CID 87899057) is N,N-bis(3-amino-3-methylbutyl)formamide.
What is the SMILES notation for N,N-bis(3-amino-3-methylbutyl)formamide?
The canonical SMILES for N,N-bis(3-amino-3-methylbutyl)formamide is CC(C)(N)CCN(C=O)CCC(C)(C)N.
What is the InChIKey of N,N-bis(3-amino-3-methylbutyl)formamide?
The InChIKey is ZETMIBQPGFHANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-10(2,12)5-7-14(9-15)8-6-11(3,4)13/h9H,5-8,12-13H2,1-4H3.
What are the key properties of N,N-bis(3-amino-3-methylbutyl)formamide?
N,N-bis(3-amino-3-methylbutyl)formamide has a molecular weight of 215.34 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-amino-3-methylbutyl)formamide is sourced from PubChem (CID 87899057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).