1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine

C14H33N3 — CID 62625207

IUPAC1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine
SMILESCCCN(CCC(N)C(C)(C)C)CCN(C)C
InChIInChI=1S/C14H33N3/c1-7-9-17(12-11-16(5)6)10-8-13(15)14(2,3)4/h13H,7-12,15H2,1-6H3
InChIKeyYWOJSISMTBHISK-UHFFFAOYSA-N
MW243.44 g/mol
LogP2.02
Rot. Bonds8

About 1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine

1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine (PubChem CID 62625207) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine
PubChem CID62625207
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC Name1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine
SMILESCCCN(CCC(N)C(C)(C)C)CCN(C)C
InChIInChI=1S/C14H33N3/c1-7-9-17(12-11-16(5)6)10-8-13(15)14(2,3)4/h13H,7-12,15H2,1-6H3
InChIKeyYWOJSISMTBHISK-UHFFFAOYSA-N
XLogP2.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine (CID 62625207) is 1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine is CCCN(CCC(N)C(C)(C)C)CCN(C)C.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine?
The InChIKey is YWOJSISMTBHISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3/c1-7-9-17(12-11-16(5)6)10-8-13(15)14(2,3)4/h13H,7-12,15H2,1-6H3.
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine?
1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine has a molecular weight of 243.44 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-1-N-propylpentane-1,3-diamine is sourced from PubChem (CID 62625207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).