N'-propan-2-yl-N-(2,3,3-trimethylbutyl)propane-1,3-diamine

C13H30N2 — CID 83144622

IUPACN'-propan-2-yl-N-(2,3,3-trimethylbutyl)propane-1,3-diamine
SMILESCC(C)NCCCNCC(C)C(C)(C)C
InChIInChI=1S/C13H30N2/c1-11(2)15-9-7-8-14-10-12(3)13(4,5)6/h11-12,14-15H,7-10H2,1-6H3
InChIKeyAZJYNNYZBIZHDS-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.65
Rot. Bonds7

About N'-propan-2-yl-N-(2,3,3-trimethylbutyl)propane-1,3-diamine

N'-propan-2-yl-N-(2,3,3-trimethylbutyl)propane-1,3-diamine (PubChem CID 83144622) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N'-propan-2-yl-N-(2,3,3-trimethylbutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N-(2,3,3-trimethylbutyl)propane-1,3-diamine
PubChem CID83144622
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN'-propan-2-yl-N-(2,3,3-trimethylbutyl)propane-1,3-diamine
SMILESCC(C)NCCCNCC(C)C(C)(C)C
InChIInChI=1S/C13H30N2/c1-11(2)15-9-7-8-14-10-12(3)13(4,5)6/h11-12,14-15H,7-10H2,1-6H3
InChIKeyAZJYNNYZBIZHDS-UHFFFAOYSA-N
XLogP2.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.65
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'-propan-2-yl-N-(2,3,3-trimethylbutyl)propane-1,3-diamine?
The IUPAC name of N'-propan-2-yl-N-(2,3,3-trimethylbutyl)propane-1,3-diamine (CID 83144622) is N'-propan-2-yl-N-(2,3,3-trimethylbutyl)propane-1,3-diamine.
What is the SMILES notation for N'-propan-2-yl-N-(2,3,3-trimethylbutyl)propane-1,3-diamine?
The canonical SMILES for N'-propan-2-yl-N-(2,3,3-trimethylbutyl)propane-1,3-diamine is CC(C)NCCCNCC(C)C(C)(C)C.
What is the InChIKey of N'-propan-2-yl-N-(2,3,3-trimethylbutyl)propane-1,3-diamine?
The InChIKey is AZJYNNYZBIZHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-11(2)15-9-7-8-14-10-12(3)13(4,5)6/h11-12,14-15H,7-10H2,1-6H3.
What are the key properties of N'-propan-2-yl-N-(2,3,3-trimethylbutyl)propane-1,3-diamine?
N'-propan-2-yl-N-(2,3,3-trimethylbutyl)propane-1,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-(2,3,3-trimethylbutyl)propane-1,3-diamine is sourced from PubChem (CID 83144622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).