1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclopentane-1,2-diamine

C15H33N3 — CID 79859662

IUPAC1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclopentane-1,2-diamine
SMILESCCCN(CCN(C)C)C1CCC(C)(C)C1NC
InChIInChI=1S/C15H33N3/c1-7-10-18(12-11-17(5)6)13-8-9-15(2,3)14(13)16-4/h13-14,16H,7-12H2,1-6H3
InChIKeyWYASHBWOMFKUQF-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.04
Rot. Bonds7

About 1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclopentane-1,2-diamine

1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclopentane-1,2-diamine (PubChem CID 79859662) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclopentane-1,2-diamine
PubChem CID79859662
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclopentane-1,2-diamine
SMILESCCCN(CCN(C)C)C1CCC(C)(C)C1NC
InChIInChI=1S/C15H33N3/c1-7-10-18(12-11-17(5)6)13-8-9-15(2,3)14(13)16-4/h13-14,16H,7-12H2,1-6H3
InChIKeyWYASHBWOMFKUQF-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 79828938
1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine
CID 79864029
1-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 102992323
1-N,1-N,2-N,3,3-pentamethylcyclopentane-1,2-diamine
CID 79864117
1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)-2-N,3,3-trimethylcyclopentane-1,2-diamine
CID 79860132
1-N-[2-(dimethylamino)ethyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine
CID 79860080
1-N-cyclopentyl-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine
CID 79864395
2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine
CID 107869702
1-N-(2,2-dimethylpropyl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine
CID 79859576
2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 79828904
1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine
CID 79859815
1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine
CID 63466736

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclopentane-1,2-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclopentane-1,2-diamine (CID 79859662) is 1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclopentane-1,2-diamine is CCCN(CCN(C)C)C1CCC(C)(C)C1NC.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclopentane-1,2-diamine?
The InChIKey is WYASHBWOMFKUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-7-10-18(12-11-17(5)6)13-8-9-15(2,3)14(13)16-4/h13-14,16H,7-12H2,1-6H3.
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclopentane-1,2-diamine?
1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclopentane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.04, 7 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]-2-N,3,3-trimethyl-1-N-propylcyclopentane-1,2-diamine is sourced from PubChem (CID 79859662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).