ethane;1-N'-(4-methylpentyl)ethene-1,1-diamine

C10H24N2 — CID 142402925

IUPACethane;1-N'-(4-methylpentyl)ethene-1,1-diamine
SMILESC=C(N)NCCCC(C)C.CC
InChIInChI=1S/C8H18N2.C2H6/c1-7(2)5-4-6-10-8(3)9;1-2/h7,10H,3-6,9H2,1-2H3;1-2H3
InChIKeyFTJDSEGJTFFQQL-UHFFFAOYSA-N
MW172.32 g/mol
LogP2.47
Rot. Bonds5

About ethane;1-N'-(4-methylpentyl)ethene-1,1-diamine

ethane;1-N'-(4-methylpentyl)ethene-1,1-diamine (PubChem CID 142402925) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is ethane;1-N'-(4-methylpentyl)ethene-1,1-diamine.

Molecular Properties

Compound Nameethane;1-N'-(4-methylpentyl)ethene-1,1-diamine
PubChem CID142402925
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Nameethane;1-N'-(4-methylpentyl)ethene-1,1-diamine
SMILESC=C(N)NCCCC(C)C.CC
InChIInChI=1S/C8H18N2.C2H6/c1-7(2)5-4-6-10-8(3)9;1-2/h7,10H,3-6,9H2,1-2H3;1-2H3
InChIKeyFTJDSEGJTFFQQL-UHFFFAOYSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
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 ethane;1-N'-(4-methylpentyl)ethene-1,1-diamine?
The IUPAC name of ethane;1-N'-(4-methylpentyl)ethene-1,1-diamine (CID 142402925) is ethane;1-N'-(4-methylpentyl)ethene-1,1-diamine.
What is the SMILES notation for ethane;1-N'-(4-methylpentyl)ethene-1,1-diamine?
The canonical SMILES for ethane;1-N'-(4-methylpentyl)ethene-1,1-diamine is C=C(N)NCCCC(C)C.CC.
What is the InChIKey of ethane;1-N'-(4-methylpentyl)ethene-1,1-diamine?
The InChIKey is FTJDSEGJTFFQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C2H6/c1-7(2)5-4-6-10-8(3)9;1-2/h7,10H,3-6,9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-N'-(4-methylpentyl)ethene-1,1-diamine?
ethane;1-N'-(4-methylpentyl)ethene-1,1-diamine has a molecular weight of 172.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N'-(4-methylpentyl)ethene-1,1-diamine is sourced from PubChem (CID 142402925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).