N-(4-amino-4-iminobutyl)-3,3-dimethylbutanamide

C10H21N3O — CID 149052761

IUPACN-(4-amino-4-iminobutyl)-3,3-dimethylbutanamide
SMILES[H]/N=C(\N)CCCNC(=O)CC(C)(C)C
InChIInChI=1S/C10H21N3O/c1-10(2,3)7-9(14)13-6-4-5-8(11)12/h4-7H2,1-3H3,(H3,11,12)(H,13,14)
InChIKeyQKDHNUXPVFTPGR-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.25
Rot. Bonds5

About N-(4-amino-4-iminobutyl)-3,3-dimethylbutanamide

N-(4-amino-4-iminobutyl)-3,3-dimethylbutanamide (PubChem CID 149052761) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N-(4-amino-4-iminobutyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-amino-4-iminobutyl)-3,3-dimethylbutanamide
PubChem CID149052761
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN-(4-amino-4-iminobutyl)-3,3-dimethylbutanamide
SMILES[H]/N=C(\N)CCCNC(=O)CC(C)(C)C
InChIInChI=1S/C10H21N3O/c1-10(2,3)7-9(14)13-6-4-5-8(11)12/h4-7H2,1-3H3,(H3,11,12)(H,13,14)
InChIKeyQKDHNUXPVFTPGR-UHFFFAOYSA-N
XLogP1.25
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-iminobutyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(4-amino-4-iminobutyl)-3,3-dimethylbutanamide (CID 149052761) is N-(4-amino-4-iminobutyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(4-amino-4-iminobutyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(4-amino-4-iminobutyl)-3,3-dimethylbutanamide is [H]/N=C(\N)CCCNC(=O)CC(C)(C)C.
What is the InChIKey of N-(4-amino-4-iminobutyl)-3,3-dimethylbutanamide?
The InChIKey is QKDHNUXPVFTPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2,3)7-9(14)13-6-4-5-8(11)12/h4-7H2,1-3H3,(H3,11,12)(H,13,14).
What are the key properties of N-(4-amino-4-iminobutyl)-3,3-dimethylbutanamide?
N-(4-amino-4-iminobutyl)-3,3-dimethylbutanamide has a molecular weight of 199.30 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-iminobutyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 149052761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).