N'-[3-(ethylideneamino)propyl]butane-1,4-diamine

C9H21N3 — CID 118457305

IUPACN'-[3-(ethylideneamino)propyl]butane-1,4-diamine
SMILESC/C=N/CCCNCCCCN
InChIInChI=1S/C9H21N3/c1-2-11-8-5-9-12-7-4-3-6-10/h2,12H,3-10H2,1H3/b11-2+
InChIKeyLIMUXTPXJMKCEK-BIIKFXOESA-N
MW171.29 g/mol
LogP0.80
Rot. Bonds8

About N'-[3-(ethylideneamino)propyl]butane-1,4-diamine

N'-[3-(ethylideneamino)propyl]butane-1,4-diamine (PubChem CID 118457305) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N'-[3-(ethylideneamino)propyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[3-(ethylideneamino)propyl]butane-1,4-diamine
PubChem CID118457305
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN'-[3-(ethylideneamino)propyl]butane-1,4-diamine
SMILESC/C=N/CCCNCCCCN
InChIInChI=1S/C9H21N3/c1-2-11-8-5-9-12-7-4-3-6-10/h2,12H,3-10H2,1H3/b11-2+
InChIKeyLIMUXTPXJMKCEK-BIIKFXOESA-N
XLogP0.80
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.80
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

acetaldehyde;butan-1-amine;N-butylethanimine;N-ethylbutan-1-amine
CID 160837983
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine
CID 57277505
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-dodecylheptane-1,7-diamine
CID 122537296
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
N'-pentyltridecane-1,13-diamine
CID 174397381
N'-butyloctadecane-1,18-diamine
CID 19427141

Frequently Asked Questions

What is the IUPAC name of N'-[3-(ethylideneamino)propyl]butane-1,4-diamine?
The IUPAC name of N'-[3-(ethylideneamino)propyl]butane-1,4-diamine (CID 118457305) is N'-[3-(ethylideneamino)propyl]butane-1,4-diamine.
What is the SMILES notation for N'-[3-(ethylideneamino)propyl]butane-1,4-diamine?
The canonical SMILES for N'-[3-(ethylideneamino)propyl]butane-1,4-diamine is C/C=N/CCCNCCCCN.
What is the InChIKey of N'-[3-(ethylideneamino)propyl]butane-1,4-diamine?
The InChIKey is LIMUXTPXJMKCEK-BIIKFXOESA-N. The full InChI is InChI=1S/C9H21N3/c1-2-11-8-5-9-12-7-4-3-6-10/h2,12H,3-10H2,1H3/b11-2+.
What are the key properties of N'-[3-(ethylideneamino)propyl]butane-1,4-diamine?
N'-[3-(ethylideneamino)propyl]butane-1,4-diamine has a molecular weight of 171.29 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(ethylideneamino)propyl]butane-1,4-diamine is sourced from PubChem (CID 118457305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).