N-ethyl-N-(iminomethylideneamino)propan-2-amine

C6H13N3 — CID 87920408

IUPACN-ethyl-N-(iminomethylideneamino)propan-2-amine
SMILESCCN(N=C=N)C(C)C
InChIInChI=1S/C6H13N3/c1-4-9(6(2)3)8-5-7/h6-7H,4H2,1-3H3
InChIKeyRAFATAAEKXMARA-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.38
Rot. Bonds3

About N-ethyl-N-(iminomethylideneamino)propan-2-amine

N-ethyl-N-(iminomethylideneamino)propan-2-amine (PubChem CID 87920408) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-ethyl-N-(iminomethylideneamino)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(iminomethylideneamino)propan-2-amine
PubChem CID87920408
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-ethyl-N-(iminomethylideneamino)propan-2-amine
SMILESCCN(N=C=N)C(C)C
InChIInChI=1S/C6H13N3/c1-4-9(6(2)3)8-5-7/h6-7H,4H2,1-3H3
InChIKeyRAFATAAEKXMARA-UHFFFAOYSA-N
XLogP1.38
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
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-ethyl-N-(iminomethylideneamino)propan-2-amine?
The IUPAC name of N-ethyl-N-(iminomethylideneamino)propan-2-amine (CID 87920408) is N-ethyl-N-(iminomethylideneamino)propan-2-amine.
What is the SMILES notation for N-ethyl-N-(iminomethylideneamino)propan-2-amine?
The canonical SMILES for N-ethyl-N-(iminomethylideneamino)propan-2-amine is CCN(N=C=N)C(C)C.
What is the InChIKey of N-ethyl-N-(iminomethylideneamino)propan-2-amine?
The InChIKey is RAFATAAEKXMARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-4-9(6(2)3)8-5-7/h6-7H,4H2,1-3H3.
What are the key properties of N-ethyl-N-(iminomethylideneamino)propan-2-amine?
N-ethyl-N-(iminomethylideneamino)propan-2-amine has a molecular weight of 127.19 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(iminomethylideneamino)propan-2-amine is sourced from PubChem (CID 87920408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).