N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine;hydrochloride

C9H20ClN3 — CID 22042041

IUPACN-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine;hydrochloride
SMILESCCN=C=NN(C(C)C)C(C)C.Cl
InChIInChI=1S/C9H19N3.ClH/c1-6-10-7-11-12(8(2)3)9(4)5;/h8-9H,6H2,1-5H3;1H
InChIKeyNDPCPEVTNNGQPQ-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.64
Rot. Bonds4

About N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine;hydrochloride

N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine;hydrochloride (PubChem CID 22042041) has the molecular formula C9H20ClN3 and a molecular weight of 205.73 g/mol. Its IUPAC name is N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine;hydrochloride
PubChem CID22042041
Molecular FormulaC9H20ClN3
Molecular Weight205.73 g/mol
Exact Mass205.13
IUPAC NameN-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine;hydrochloride
SMILESCCN=C=NN(C(C)C)C(C)C.Cl
InChIInChI=1S/C9H19N3.ClH/c1-6-10-7-11-12(8(2)3)9(4)5;/h8-9H,6H2,1-5H3;1H
InChIKeyNDPCPEVTNNGQPQ-UHFFFAOYSA-N
XLogP2.64
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine;hydrochloride?
The IUPAC name of N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine;hydrochloride (CID 22042041) is N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine;hydrochloride?
The canonical SMILES for N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine;hydrochloride is CCN=C=NN(C(C)C)C(C)C.Cl.
What is the InChIKey of N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine;hydrochloride?
The InChIKey is NDPCPEVTNNGQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3.ClH/c1-6-10-7-11-12(8(2)3)9(4)5;/h8-9H,6H2,1-5H3;1H.
What are the key properties of N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine;hydrochloride?
N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine;hydrochloride has a molecular weight of 205.73 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine;hydrochloride is sourced from PubChem (CID 22042041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).