N,N-dipropylmethanimidamide

C7H16N2 — CID 87832225

IUPACN,N-dipropylmethanimidamide
SMILES[H]/N=C/N(CCC)CCC
InChIInChI=1S/C7H16N2/c1-3-5-9(7-8)6-4-2/h7-8H,3-6H2,1-2H3/b8-7+
InChIKeyBLDHGACEPAYSQL-BQYQJAHWSA-N
MW128.22 g/mol
LogP1.72
Rot. Bonds5

About N,N-dipropylmethanimidamide

N,N-dipropylmethanimidamide (PubChem CID 87832225) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N,N-dipropylmethanimidamide.

Molecular Properties

Compound NameN,N-dipropylmethanimidamide
PubChem CID87832225
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN,N-dipropylmethanimidamide
SMILES[H]/N=C/N(CCC)CCC
InChIInChI=1S/C7H16N2/c1-3-5-9(7-8)6-4-2/h7-8H,3-6H2,1-2H3/b8-7+
InChIKeyBLDHGACEPAYSQL-BQYQJAHWSA-N
XLogP1.72
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N,N-dipropylmethanimidamide?
The IUPAC name of N,N-dipropylmethanimidamide (CID 87832225) is N,N-dipropylmethanimidamide.
What is the SMILES notation for N,N-dipropylmethanimidamide?
The canonical SMILES for N,N-dipropylmethanimidamide is [H]/N=C/N(CCC)CCC.
What is the InChIKey of N,N-dipropylmethanimidamide?
The InChIKey is BLDHGACEPAYSQL-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H16N2/c1-3-5-9(7-8)6-4-2/h7-8H,3-6H2,1-2H3/b8-7+.
What are the key properties of N,N-dipropylmethanimidamide?
N,N-dipropylmethanimidamide has a molecular weight of 128.22 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylmethanimidamide is sourced from PubChem (CID 87832225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).