2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine

C13H31N3 — CID 63701229

IUPAC2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)NCC(C(C)C)N(C)CCN(C)C
InChIInChI=1S/C13H31N3/c1-11(2)13(10-14-12(3)4)16(7)9-8-15(5)6/h11-14H,8-10H2,1-7H3
InChIKeyMOORBYULMUVPIS-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.50
Rot. Bonds8

About 2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine

2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 63701229) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID63701229
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Name2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)NCC(C(C)C)N(C)CCN(C)C
InChIInChI=1S/C13H31N3/c1-11(2)13(10-14-12(3)4)16(7)9-8-15(5)6/h11-14H,8-10H2,1-7H3
InChIKeyMOORBYULMUVPIS-UHFFFAOYSA-N
XLogP1.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine (CID 63701229) is 2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine is CC(C)NCC(C(C)C)N(C)CCN(C)C.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is MOORBYULMUVPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-11(2)13(10-14-12(3)4)16(7)9-8-15(5)6/h11-14H,8-10H2,1-7H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 229.41 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 63701229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).