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

C9H19N3 — CID 21186952

IUPACN-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine
SMILESCCN=C=NN(C(C)C)C(C)C
InChIInChI=1S/C9H19N3/c1-6-10-7-11-12(8(2)3)9(4)5/h8-9H,6H2,1-5H3
InChIKeyNDTMFURJLMNCRE-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.21
Rot. Bonds4

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

N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine (PubChem CID 21186952) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine
PubChem CID21186952
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine
SMILESCCN=C=NN(C(C)C)C(C)C
InChIInChI=1S/C9H19N3/c1-6-10-7-11-12(8(2)3)9(4)5/h8-9H,6H2,1-5H3
InChIKeyNDTMFURJLMNCRE-UHFFFAOYSA-N
XLogP2.21
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.21
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?
The IUPAC name of N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine (CID 21186952) is N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine is CCN=C=NN(C(C)C)C(C)C.
What is the InChIKey of N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine?
The InChIKey is NDTMFURJLMNCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-6-10-7-11-12(8(2)3)9(4)5/h8-9H,6H2,1-5H3.
What are the key properties of N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine?
N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine has a molecular weight of 169.27 g/mol, XLogP of 2.21, 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 is sourced from PubChem (CID 21186952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).