3-(ethylideneamino)hexan-2-amine

C8H18N2 — CID 146742852

IUPAC3-(ethylideneamino)hexan-2-amine
SMILESC/C=N/C(CCC)C(C)N
InChIInChI=1S/C8H18N2/c1-4-6-8(7(3)9)10-5-2/h5,7-8H,4,6,9H2,1-3H3/b10-5+
InChIKeyRLKSDHIHAYCNHG-BJMVGYQFSA-N
MW142.25 g/mol
LogP1.59
Rot. Bonds4

About 3-(ethylideneamino)hexan-2-amine

3-(ethylideneamino)hexan-2-amine (PubChem CID 146742852) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 3-(ethylideneamino)hexan-2-amine.

Molecular Properties

Compound Name3-(ethylideneamino)hexan-2-amine
PubChem CID146742852
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name3-(ethylideneamino)hexan-2-amine
SMILESC/C=N/C(CCC)C(C)N
InChIInChI=1S/C8H18N2/c1-4-6-8(7(3)9)10-5-2/h5,7-8H,4,6,9H2,1-3H3/b10-5+
InChIKeyRLKSDHIHAYCNHG-BJMVGYQFSA-N
XLogP1.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,6-Hexanediamine, N1-butylidene-
CID 116610
6-(Hexylideneamino)hexan-1-amine
CID 53961354
6-Hexyliminohexan-1-amine
CID 57077216
3-Hexyliminopropan-1-amine
CID 57232081
2-Hexyliminoethanamine
CID 57235136
5-(Butylideneamino)pentan-1-amine
CID 58308982
6-(Propylideneamino)hexan-1-amine
CID 60088101
2-Hexyliminoethanamine;dihydrochloride
CID 87888636
1-(Methylideneamino)heptan-2-amine
CID 88343713
2,3,4,5-Tetrahydropyridin-2-ylmethanamine
CID 89126667
2-(Hexylideneamino)ethanamine
CID 91021386
5-(Methylideneamino)hexane-1,4-diamine
CID 91035827

Frequently Asked Questions

What is the IUPAC name of 3-(ethylideneamino)hexan-2-amine?
The IUPAC name of 3-(ethylideneamino)hexan-2-amine (CID 146742852) is 3-(ethylideneamino)hexan-2-amine.
What is the SMILES notation for 3-(ethylideneamino)hexan-2-amine?
The canonical SMILES for 3-(ethylideneamino)hexan-2-amine is C/C=N/C(CCC)C(C)N.
What is the InChIKey of 3-(ethylideneamino)hexan-2-amine?
The InChIKey is RLKSDHIHAYCNHG-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-6-8(7(3)9)10-5-2/h5,7-8H,4,6,9H2,1-3H3/b10-5+.
What are the key properties of 3-(ethylideneamino)hexan-2-amine?
3-(ethylideneamino)hexan-2-amine has a molecular weight of 142.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylideneamino)hexan-2-amine is sourced from PubChem (CID 146742852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).