N',2,2-trimethyl-N'-(2-methylpentyl)propane-1,3-diamine

C12H28N2 — CID 79652192

IUPACN',2,2-trimethyl-N'-(2-methylpentyl)propane-1,3-diamine
SMILESCCCC(C)CN(C)CC(C)(C)CN
InChIInChI=1S/C12H28N2/c1-6-7-11(2)8-14(5)10-12(3,4)9-13/h11H,6-10,13H2,1-5H3
InChIKeyDZZPIIIZJXTYJB-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.34
Rot. Bonds7

About N',2,2-trimethyl-N'-(2-methylpentyl)propane-1,3-diamine

N',2,2-trimethyl-N'-(2-methylpentyl)propane-1,3-diamine (PubChem CID 79652192) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(2-methylpentyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(2-methylpentyl)propane-1,3-diamine
PubChem CID79652192
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN',2,2-trimethyl-N'-(2-methylpentyl)propane-1,3-diamine
SMILESCCCC(C)CN(C)CC(C)(C)CN
InChIInChI=1S/C12H28N2/c1-6-7-11(2)8-14(5)10-12(3,4)9-13/h11H,6-10,13H2,1-5H3
InChIKeyDZZPIIIZJXTYJB-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.34
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-methylpentyl)propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-(2-methylpentyl)propane-1,3-diamine (CID 79652192) is N',2,2-trimethyl-N'-(2-methylpentyl)propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-(2-methylpentyl)propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-(2-methylpentyl)propane-1,3-diamine is CCCC(C)CN(C)CC(C)(C)CN.
What is the InChIKey of N',2,2-trimethyl-N'-(2-methylpentyl)propane-1,3-diamine?
The InChIKey is DZZPIIIZJXTYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-6-7-11(2)8-14(5)10-12(3,4)9-13/h11H,6-10,13H2,1-5H3.
What are the key properties of N',2,2-trimethyl-N'-(2-methylpentyl)propane-1,3-diamine?
N',2,2-trimethyl-N'-(2-methylpentyl)propane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.34, 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-methylpentyl)propane-1,3-diamine is sourced from PubChem (CID 79652192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).