N-ethyl-3-(iminomethylideneamino)propan-1-amine

C6H13N3 — CID 87985378

IUPACN-ethyl-3-(iminomethylideneamino)propan-1-amine
SMILESCCNCCCN=C=N
InChIInChI=1S/C6H13N3/c1-2-8-4-3-5-9-6-7/h7-8H,2-5H2,1H3
InChIKeyLWAHMISFRMBCSN-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.74
Rot. Bonds5

About N-ethyl-3-(iminomethylideneamino)propan-1-amine

N-ethyl-3-(iminomethylideneamino)propan-1-amine (PubChem CID 87985378) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-ethyl-3-(iminomethylideneamino)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(iminomethylideneamino)propan-1-amine
PubChem CID87985378
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-ethyl-3-(iminomethylideneamino)propan-1-amine
SMILESCCNCCCN=C=N
InChIInChI=1S/C6H13N3/c1-2-8-4-3-5-9-6-7/h7-8H,2-5H2,1H3
InChIKeyLWAHMISFRMBCSN-UHFFFAOYSA-N
XLogP0.74
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diethylpentane-1,5-diamine
CID 15013244
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
N,N'-bis[3-(ethylamino)propyl]but-2-yne-1,4-diamine;tetrahydrochloride
CID 169425811
3-(iminomethylideneamino)-N,N-dimethylpropan-1-amine;iodomethane
CID 19063554
N-ethylpent-4-yn-1-amine
CID 12615597
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168
N-ethyl-N'-propylbutane-1,4-diamine
CID 54079202
6-azido-N-ethylhexan-1-amine
CID 152547134
N-ethyl-N',N'-dipropylpropane-1,3-diamine
CID 19755940
3-bromo-N-ethylpropan-1-amine;hydrobromide
CID 18324827

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(iminomethylideneamino)propan-1-amine?
The IUPAC name of N-ethyl-3-(iminomethylideneamino)propan-1-amine (CID 87985378) is N-ethyl-3-(iminomethylideneamino)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(iminomethylideneamino)propan-1-amine?
The canonical SMILES for N-ethyl-3-(iminomethylideneamino)propan-1-amine is CCNCCCN=C=N.
What is the InChIKey of N-ethyl-3-(iminomethylideneamino)propan-1-amine?
The InChIKey is LWAHMISFRMBCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-2-8-4-3-5-9-6-7/h7-8H,2-5H2,1H3.
What are the key properties of N-ethyl-3-(iminomethylideneamino)propan-1-amine?
N-ethyl-3-(iminomethylideneamino)propan-1-amine has a molecular weight of 127.19 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(iminomethylideneamino)propan-1-amine is sourced from PubChem (CID 87985378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).