N-[2-(dimethylamino)ethyl]-N-propylpropanimidamide

C10H23N3 — CID 63177323

IUPACN-[2-(dimethylamino)ethyl]-N-propylpropanimidamide
SMILES[H]/N=C(\CC)N(CCC)CCN(C)C
InChIInChI=1S/C10H23N3/c1-5-7-13(10(11)6-2)9-8-12(3)4/h11H,5-9H2,1-4H3/b11-10+
InChIKeyBFQQLAJZEXQCQB-ZHACJKMWSA-N
MW185.31 g/mol
LogP1.65
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-propylpropanimidamide

N-[2-(dimethylamino)ethyl]-N-propylpropanimidamide (PubChem CID 63177323) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-propylpropanimidamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-propylpropanimidamide
PubChem CID63177323
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN-[2-(dimethylamino)ethyl]-N-propylpropanimidamide
SMILES[H]/N=C(\CC)N(CCC)CCN(C)C
InChIInChI=1S/C10H23N3/c1-5-7-13(10(11)6-2)9-8-12(3)4/h11H,5-9H2,1-4H3/b11-10+
InChIKeyBFQQLAJZEXQCQB-ZHACJKMWSA-N
XLogP1.65
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-(dimethylamino)ethyl]-N-propylpropanimidamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-propylpropanimidamide (CID 63177323) is N-[2-(dimethylamino)ethyl]-N-propylpropanimidamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-propylpropanimidamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-propylpropanimidamide is [H]/N=C(\CC)N(CCC)CCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-propylpropanimidamide?
The InChIKey is BFQQLAJZEXQCQB-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H23N3/c1-5-7-13(10(11)6-2)9-8-12(3)4/h11H,5-9H2,1-4H3/b11-10+.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-propylpropanimidamide?
N-[2-(dimethylamino)ethyl]-N-propylpropanimidamide has a molecular weight of 185.31 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-propylpropanimidamide is sourced from PubChem (CID 63177323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).