N'-(4-methylidenehexyl)methanediamine

C8H18N2 — CID 130462341

IUPACN'-(4-methylidenehexyl)methanediamine
SMILESC=C(CC)CCCNCN
InChIInChI=1S/C8H18N2/c1-3-8(2)5-4-6-10-7-9/h10H,2-7,9H2,1H3
InChIKeyVWRZCERYEMFLEZ-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.24
Rot. Bonds6

About N'-(4-methylidenehexyl)methanediamine

N'-(4-methylidenehexyl)methanediamine (PubChem CID 130462341) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N'-(4-methylidenehexyl)methanediamine.

Molecular Properties

Compound NameN'-(4-methylidenehexyl)methanediamine
PubChem CID130462341
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN'-(4-methylidenehexyl)methanediamine
SMILESC=C(CC)CCCNCN
InChIInChI=1S/C8H18N2/c1-3-8(2)5-4-6-10-7-9/h10H,2-7,9H2,1H3
InChIKeyVWRZCERYEMFLEZ-UHFFFAOYSA-N
XLogP1.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methylidenehexyl)methanediamine?
The IUPAC name of N'-(4-methylidenehexyl)methanediamine (CID 130462341) is N'-(4-methylidenehexyl)methanediamine.
What is the SMILES notation for N'-(4-methylidenehexyl)methanediamine?
The canonical SMILES for N'-(4-methylidenehexyl)methanediamine is C=C(CC)CCCNCN.
What is the InChIKey of N'-(4-methylidenehexyl)methanediamine?
The InChIKey is VWRZCERYEMFLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-8(2)5-4-6-10-7-9/h10H,2-7,9H2,1H3.
What are the key properties of N'-(4-methylidenehexyl)methanediamine?
N'-(4-methylidenehexyl)methanediamine has a molecular weight of 142.25 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylidenehexyl)methanediamine is sourced from PubChem (CID 130462341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).