(E)-1-N'-hexyl-1-N'-methylprop-1-ene-1,1-diamine

C10H22N2 — CID 134406464

IUPAC(E)-1-N'-hexyl-1-N'-methylprop-1-ene-1,1-diamine
SMILESC/C=C(\N)N(C)CCCCCC
InChIInChI=1S/C10H22N2/c1-4-6-7-8-9-12(3)10(11)5-2/h5H,4,6-9,11H2,1-3H3/b10-5+
InChIKeyZBZJLNNWSUJPTJ-BJMVGYQFSA-N
MW170.30 g/mol
LogP2.32
Rot. Bonds6

About (E)-1-N'-hexyl-1-N'-methylprop-1-ene-1,1-diamine

(E)-1-N'-hexyl-1-N'-methylprop-1-ene-1,1-diamine (PubChem CID 134406464) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (E)-1-N'-hexyl-1-N'-methylprop-1-ene-1,1-diamine.

Molecular Properties

Compound Name(E)-1-N'-hexyl-1-N'-methylprop-1-ene-1,1-diamine
PubChem CID134406464
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(E)-1-N'-hexyl-1-N'-methylprop-1-ene-1,1-diamine
SMILESC/C=C(\N)N(C)CCCCCC
InChIInChI=1S/C10H22N2/c1-4-6-7-8-9-12(3)10(11)5-2/h5H,4,6-9,11H2,1-3H3/b10-5+
InChIKeyZBZJLNNWSUJPTJ-BJMVGYQFSA-N
XLogP2.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N'-hexyl-1-N'-methylprop-1-ene-1,1-diamine?
The IUPAC name of (E)-1-N'-hexyl-1-N'-methylprop-1-ene-1,1-diamine (CID 134406464) is (E)-1-N'-hexyl-1-N'-methylprop-1-ene-1,1-diamine.
What is the SMILES notation for (E)-1-N'-hexyl-1-N'-methylprop-1-ene-1,1-diamine?
The canonical SMILES for (E)-1-N'-hexyl-1-N'-methylprop-1-ene-1,1-diamine is C/C=C(\N)N(C)CCCCCC.
What is the InChIKey of (E)-1-N'-hexyl-1-N'-methylprop-1-ene-1,1-diamine?
The InChIKey is ZBZJLNNWSUJPTJ-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-6-7-8-9-12(3)10(11)5-2/h5H,4,6-9,11H2,1-3H3/b10-5+.
What are the key properties of (E)-1-N'-hexyl-1-N'-methylprop-1-ene-1,1-diamine?
(E)-1-N'-hexyl-1-N'-methylprop-1-ene-1,1-diamine has a molecular weight of 170.30 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N'-hexyl-1-N'-methylprop-1-ene-1,1-diamine is sourced from PubChem (CID 134406464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).