N-methyl-N-propylpropanimidamide

C7H16N2 — CID 63176074

IUPACN-methyl-N-propylpropanimidamide
SMILES[H]/N=C(\CC)N(C)CCC
InChIInChI=1S/C7H16N2/c1-4-6-9(3)7(8)5-2/h8H,4-6H2,1-3H3/b8-7+
InChIKeyMZDYDIDZXKEGAR-BQYQJAHWSA-N
MW128.22 g/mol
LogP1.72
Rot. Bonds3

About N-methyl-N-propylpropanimidamide

N-methyl-N-propylpropanimidamide (PubChem CID 63176074) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N-methyl-N-propylpropanimidamide.

Molecular Properties

Compound NameN-methyl-N-propylpropanimidamide
PubChem CID63176074
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN-methyl-N-propylpropanimidamide
SMILES[H]/N=C(\CC)N(C)CCC
InChIInChI=1S/C7H16N2/c1-4-6-9(3)7(8)5-2/h8H,4-6H2,1-3H3/b8-7+
InChIKeyMZDYDIDZXKEGAR-BQYQJAHWSA-N
XLogP1.72
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[3-(methylamino)propyl]propanimidamide
CID 87549397
N-[2-(dimethylamino)ethyl]-N-propylpropanimidamide
CID 63177323
N-(2,2-dimethylpropyl)-N-methylpropanimidamide
CID 63177754
N-methyl-N-prop-2-ynylpropanimidamide
CID 143160706
N-amino-N-methylpropanimidamide
CID 123454598
N,N-dimethyl-2-[methyl(propanimidoyl)amino]acetamide
CID 146735988
N-(2-acridin-9-ylethyl)-N-methylpropanimidamide
CID 102168415
N-methyl-N-(2-propan-2-yloxyethyl)butanimidamide
CID 81074511
N-[(Z)-but-2-en-2-yl]-N-methylpropanimidamide
CID 135276889
N-butan-2-yl-N-butylpropanimidamide
CID 63177436
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide
CID 63275058
N-methyl-N-(thiophen-3-ylmethyl)propanimidamide
CID 63175468

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propylpropanimidamide?
The IUPAC name of N-methyl-N-propylpropanimidamide (CID 63176074) is N-methyl-N-propylpropanimidamide.
What is the SMILES notation for N-methyl-N-propylpropanimidamide?
The canonical SMILES for N-methyl-N-propylpropanimidamide is [H]/N=C(\CC)N(C)CCC.
What is the InChIKey of N-methyl-N-propylpropanimidamide?
The InChIKey is MZDYDIDZXKEGAR-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-6-9(3)7(8)5-2/h8H,4-6H2,1-3H3/b8-7+.
What are the key properties of N-methyl-N-propylpropanimidamide?
N-methyl-N-propylpropanimidamide has a molecular weight of 128.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propylpropanimidamide is sourced from PubChem (CID 63176074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).