N,N'-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-N'-propan-2-ylethane-1,2-diamine

C13H31N3 — CID 91056225

IUPACN,N'-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCN(C)CCN(C)C(C)C
InChIInChI=1S/C13H31N3/c1-12(2)15(6)10-8-14(5)9-11-16(7)13(3)4/h12-13H,8-11H2,1-7H3
InChIKeyHOXYZHCBGBQOJY-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.60
Rot. Bonds8

About N,N'-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-N'-propan-2-ylethane-1,2-diamine

N,N'-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 91056225) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is N,N'-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID91056225
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC NameN,N'-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCN(C)CCN(C)C(C)C
InChIInChI=1S/C13H31N3/c1-12(2)15(6)10-8-14(5)9-11-16(7)13(3)4/h12-13H,8-11H2,1-7H3
InChIKeyHOXYZHCBGBQOJY-UHFFFAOYSA-N
XLogP1.60
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-N'-propan-2-ylethane-1,2-diamine (CID 91056225) is N,N'-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)CCN(C)CCN(C)C(C)C.
What is the InChIKey of N,N'-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is HOXYZHCBGBQOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-12(2)15(6)10-8-14(5)9-11-16(7)13(3)4/h12-13H,8-11H2,1-7H3.
What are the key properties of N,N'-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-N'-propan-2-ylethane-1,2-diamine?
N,N'-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 91056225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).