5-(methylideneamino)hexane-1,4-diamine

C7H17N3 — CID 91035827

IUPAC5-(methylideneamino)hexane-1,4-diamine
SMILESC=NC(C)C(N)CCCN
InChIInChI=1S/C7H17N3/c1-6(10-2)7(9)4-3-5-8/h6-7H,2-5,8-9H2,1H3
InChIKeyLEJKQWNQGQLRDD-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.14
Rot. Bonds5

About 5-(methylideneamino)hexane-1,4-diamine

5-(methylideneamino)hexane-1,4-diamine (PubChem CID 91035827) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 5-(methylideneamino)hexane-1,4-diamine.

Molecular Properties

Compound Name5-(methylideneamino)hexane-1,4-diamine
PubChem CID91035827
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name5-(methylideneamino)hexane-1,4-diamine
SMILESC=NC(C)C(N)CCCN
InChIInChI=1S/C7H17N3/c1-6(10-2)7(9)4-3-5-8/h6-7H,2-5,8-9H2,1H3
InChIKeyLEJKQWNQGQLRDD-UHFFFAOYSA-N
XLogP0.14
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Hexane-1,2-diamine
CID 10362464
Hexomethylenediamine
CID 22361664
(2S)-hexane-1,2-diamine
CID 53977028
(2R)-hexane-1,2-diamine
CID 93482394
1-Azaniumylhexan-2-ylazanium
CID 21719961
N'-hexan-2-ylmethanimidamide
CID 13225426
Hexane-2,3-diamine
CID 14949323
Hexane-1,4,5-triamine
CID 87185397
Hexane-1,2,5-triamine
CID 87784121
1-(Methylideneamino)heptan-2-amine
CID 88343713
2-(Methylideneamino)cyclohexan-1-amine
CID 89382901
(2S,3R)-hexane-2,3-diamine
CID 89547243

Frequently Asked Questions

What is the IUPAC name of 5-(methylideneamino)hexane-1,4-diamine?
The IUPAC name of 5-(methylideneamino)hexane-1,4-diamine (CID 91035827) is 5-(methylideneamino)hexane-1,4-diamine.
What is the SMILES notation for 5-(methylideneamino)hexane-1,4-diamine?
The canonical SMILES for 5-(methylideneamino)hexane-1,4-diamine is C=NC(C)C(N)CCCN.
What is the InChIKey of 5-(methylideneamino)hexane-1,4-diamine?
The InChIKey is LEJKQWNQGQLRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-6(10-2)7(9)4-3-5-8/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 5-(methylideneamino)hexane-1,4-diamine?
5-(methylideneamino)hexane-1,4-diamine has a molecular weight of 143.23 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylideneamino)hexane-1,4-diamine is sourced from PubChem (CID 91035827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).