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

C14H33N3 — CID 62949484

IUPAC2-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-2-N-propylpentane-1,2-diamine
SMILESCCCN(CCN(C)C)C(CN)CC(C)(C)C
InChIInChI=1S/C14H33N3/c1-7-8-17(10-9-16(5)6)13(12-15)11-14(2,3)4/h13H,7-12,15H2,1-6H3
InChIKeyVMYPHDBCTKTTPO-UHFFFAOYSA-N
MW243.44 g/mol
LogP2.02
Rot. Bonds8

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

2-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-2-N-propylpentane-1,2-diamine (PubChem CID 62949484) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-2-N-propylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-2-N-propylpentane-1,2-diamine
PubChem CID62949484
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC Name2-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-2-N-propylpentane-1,2-diamine
SMILESCCCN(CCN(C)C)C(CN)CC(C)(C)C
InChIInChI=1S/C14H33N3/c1-7-8-17(10-9-16(5)6)13(12-15)11-14(2,3)4/h13H,7-12,15H2,1-6H3
InChIKeyVMYPHDBCTKTTPO-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

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Related Compounds

4,4-dimethyl-2-N-propan-2-yl-2-N-propylpentane-1,2-diamine
CID 62951717
2-N,2-N,4,4-tetramethylpentane-1,2-diamine
CID 62950039
2-N-[2-(dimethylamino)ethyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675701
2-N-(cyclobutylmethyl)-2-N-ethyl-4,4-dimethylpentane-1,2-diamine
CID 107397832
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine
CID 55011655
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63466838
4-[2-(dimethylamino)ethyl-propylamino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64790359
2-N,4,4-trimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 81059317
4-ethylsulfanyl-2-N,2-N-dipropylbutane-1,2-diamine
CID 116503935
2-N-[2-(dimethylamino)ethyl]-1-N,2-N-dipropylpropane-1,2-diamine
CID 62436377
1-(3,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine
CID 106528613
1-(4-bromo-5-methylthiophen-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylethane-1,2-diamine
CID 102838940

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-2-N-propylpentane-1,2-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-2-N-propylpentane-1,2-diamine (CID 62949484) is 2-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-2-N-propylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-2-N-propylpentane-1,2-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-2-N-propylpentane-1,2-diamine is CCCN(CCN(C)C)C(CN)CC(C)(C)C.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-2-N-propylpentane-1,2-diamine?
The InChIKey is VMYPHDBCTKTTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3/c1-7-8-17(10-9-16(5)6)13(12-15)11-14(2,3)4/h13H,7-12,15H2,1-6H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-2-N-propylpentane-1,2-diamine?
2-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-2-N-propylpentane-1,2-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 2-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-2-N-propylpentane-1,2-diamine is sourced from PubChem (CID 62949484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).