3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine

C15H35N3 — CID 79409373

IUPAC3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine
SMILESCCCNCC(C)C(C)N(CCC)CCN(C)C
InChIInChI=1S/C15H35N3/c1-7-9-16-13-14(3)15(4)18(10-8-2)12-11-17(5)6/h14-16H,7-13H2,1-6H3
InChIKeyDZJDQUBKYJMAJI-UHFFFAOYSA-N
MW257.47 g/mol
LogP2.28
Rot. Bonds11

About 3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine

3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine (PubChem CID 79409373) has the molecular formula C15H35N3 and a molecular weight of 257.47 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine
PubChem CID79409373
Molecular FormulaC15H35N3
Molecular Weight257.47 g/mol
Exact Mass257.28
IUPAC Name3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine
SMILESCCCNCC(C)C(C)N(CCC)CCN(C)C
InChIInChI=1S/C15H35N3/c1-7-9-16-13-14(3)15(4)18(10-8-2)12-11-17(5)6/h14-16H,7-13H2,1-6H3
InChIKeyDZJDQUBKYJMAJI-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine?
The IUPAC name of 3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine (CID 79409373) is 3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine?
The canonical SMILES for 3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine is CCCNCC(C)C(C)N(CCC)CCN(C)C.
What is the InChIKey of 3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine?
The InChIKey is DZJDQUBKYJMAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3/c1-7-9-16-13-14(3)15(4)18(10-8-2)12-11-17(5)6/h14-16H,7-13H2,1-6H3.
What are the key properties of 3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine?
3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine has a molecular weight of 257.47 g/mol, XLogP of 2.28, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(dimethylamino)ethyl]-2-methyl-1-N,3-N-dipropylbutane-1,3-diamine is sourced from PubChem (CID 79409373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).