N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine

C13H30N2 — CID 62261892

IUPACN,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
SMILESCC(C)CNCC(C)(C)CN(C)C(C)C
InChIInChI=1S/C13H30N2/c1-11(2)8-14-9-13(5,6)10-15(7)12(3)4/h11-12,14H,8-10H2,1-7H3
InChIKeyPUIHRYZOLMSPGC-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.60
Rot. Bonds7

About N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine

N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine (PubChem CID 62261892) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
PubChem CID62261892
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
SMILESCC(C)CNCC(C)(C)CN(C)C(C)C
InChIInChI=1S/C13H30N2/c1-11(2)8-14-9-13(5,6)10-15(7)12(3)4/h11-12,14H,8-10H2,1-7H3
InChIKeyPUIHRYZOLMSPGC-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine (CID 62261892) is N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine is CC(C)CNCC(C)(C)CN(C)C(C)C.
What is the InChIKey of N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine?
The InChIKey is PUIHRYZOLMSPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-11(2)8-14-9-13(5,6)10-15(7)12(3)4/h11-12,14H,8-10H2,1-7H3.
What are the key properties of N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine?
N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62261892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).