N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine;hydrochloride

C8H18ClN3 — CID 87275017

IUPACN,N-dimethyl-1-(propyliminomethylideneamino)ethanamine;hydrochloride
SMILESCCCN=C=NC(C)N(C)C.Cl
InChIInChI=1S/C8H17N3.ClH/c1-5-6-9-7-10-8(2)11(3)4;/h8H,5-6H2,1-4H3;1H
InChIKeyDRRGHEIEZZFBJV-UHFFFAOYSA-N
MW191.71 g/mol
LogP1.90
Rot. Bonds4

About N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine;hydrochloride

N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine;hydrochloride (PubChem CID 87275017) has the molecular formula C8H18ClN3 and a molecular weight of 191.71 g/mol. Its IUPAC name is N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(propyliminomethylideneamino)ethanamine;hydrochloride
PubChem CID87275017
Molecular FormulaC8H18ClN3
Molecular Weight191.71 g/mol
Exact Mass191.12
IUPAC NameN,N-dimethyl-1-(propyliminomethylideneamino)ethanamine;hydrochloride
SMILESCCCN=C=NC(C)N(C)C.Cl
InChIInChI=1S/C8H17N3.ClH/c1-5-6-9-7-10-8(2)11(3)4;/h8H,5-6H2,1-4H3;1H
InChIKeyDRRGHEIEZZFBJV-UHFFFAOYSA-N
XLogP1.90
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.71
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine;hydrochloride (CID 87275017) is N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine;hydrochloride is CCCN=C=NC(C)N(C)C.Cl.
What is the InChIKey of N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine;hydrochloride?
The InChIKey is DRRGHEIEZZFBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.ClH/c1-5-6-9-7-10-8(2)11(3)4;/h8H,5-6H2,1-4H3;1H.
What are the key properties of N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine;hydrochloride?
N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine;hydrochloride has a molecular weight of 191.71 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(propyliminomethylideneamino)ethanamine;hydrochloride is sourced from PubChem (CID 87275017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).