N-(2-methylbutyl)-N'-propan-2-ylethane-1,2-diamine

C10H24N2 — CID 20978763

IUPACN-(2-methylbutyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCCC(C)CNCCNC(C)C
InChIInChI=1S/C10H24N2/c1-5-10(4)8-11-6-7-12-9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyDMHAQJLHLPFJLZ-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.62
Rot. Bonds7

About N-(2-methylbutyl)-N'-propan-2-ylethane-1,2-diamine

N-(2-methylbutyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 20978763) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N-(2-methylbutyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylbutyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID20978763
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN-(2-methylbutyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCCC(C)CNCCNC(C)C
InChIInChI=1S/C10H24N2/c1-5-10(4)8-11-6-7-12-9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyDMHAQJLHLPFJLZ-UHFFFAOYSA-N
XLogP1.62
TPSA24.06 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 ≤ 51.62
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 N-(2-methylbutyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(2-methylbutyl)-N'-propan-2-ylethane-1,2-diamine (CID 20978763) is N-(2-methylbutyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-methylbutyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(2-methylbutyl)-N'-propan-2-ylethane-1,2-diamine is CCC(C)CNCCNC(C)C.
What is the InChIKey of N-(2-methylbutyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is DMHAQJLHLPFJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-5-10(4)8-11-6-7-12-9(2)3/h9-12H,5-8H2,1-4H3.
What are the key properties of N-(2-methylbutyl)-N'-propan-2-ylethane-1,2-diamine?
N-(2-methylbutyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 20978763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).