2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine

C10H24N2 — CID 81080353

IUPAC2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine
SMILESCCC(CN)CCNCC(C)C
InChIInChI=1S/C10H24N2/c1-4-10(7-11)5-6-12-8-9(2)3/h9-10,12H,4-8,11H2,1-3H3
InChIKeyDOBHDQTUQNVRKC-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.61
Rot. Bonds7

About 2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine

2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine (PubChem CID 81080353) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine
PubChem CID81080353
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine
SMILESCCC(CN)CCNCC(C)C
InChIInChI=1S/C10H24N2/c1-4-10(7-11)5-6-12-8-9(2)3/h9-10,12H,4-8,11H2,1-3H3
InChIKeyDOBHDQTUQNVRKC-UHFFFAOYSA-N
XLogP1.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.61
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 2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine?
The IUPAC name of 2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine (CID 81080353) is 2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine.
What is the SMILES notation for 2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine?
The canonical SMILES for 2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine is CCC(CN)CCNCC(C)C.
What is the InChIKey of 2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine?
The InChIKey is DOBHDQTUQNVRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-4-10(7-11)5-6-12-8-9(2)3/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine?
2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine is sourced from PubChem (CID 81080353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).