1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine

C17H34N2O — CID 79859970

IUPAC1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine
SMILESCCCNC1C(N(CC)CC2CCCO2)CCC1(C)C
InChIInChI=1S/C17H34N2O/c1-5-11-18-16-15(9-10-17(16,3)4)19(6-2)13-14-8-7-12-20-14/h14-16,18H,5-13H2,1-4H3
InChIKeyHVOCDENIGJMGFQ-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.04
Rot. Bonds7

About 1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine

1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine (PubChem CID 79859970) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine
PubChem CID79859970
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine
SMILESCCCNC1C(N(CC)CC2CCCO2)CCC1(C)C
InChIInChI=1S/C17H34N2O/c1-5-11-18-16-15(9-10-17(16,3)4)19(6-2)13-14-8-7-12-20-14/h14-16,18H,5-13H2,1-4H3
InChIKeyHVOCDENIGJMGFQ-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(cyclobutylmethyl)-1-N-ethyl-3,3-dimethyl-2-N-propylcyclohexane-1,2-diamine
CID 107398176
1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine
CID 82734966
1-N-[2-(dimethylamino)ethyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine
CID 79860080
1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine
CID 80561605
N-ethyl-N-(oxolan-2-ylmethyl)piperidin-3-amine
CID 61434221
N-ethyl-N-(oxolan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80999221
1-N-ethyl-3,3-dimethyl-1-N-(2-methylphenyl)-2-N-propylcyclopentane-1,2-diamine
CID 79865413
[1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol
CID 79656703
2-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62615673
1-N-cyclopropyl-3,3-dimethyl-1-N-(2-methylpropyl)-2-N-propylcyclopentane-1,2-diamine
CID 79860298
[1-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]cyclohexyl]methanol
CID 79635541
1-N,3,3-trimethyl-1-N-(1-methylpiperidin-4-yl)-2-N-propylcyclohexane-1,2-diamine
CID 79835811

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine?
The IUPAC name of 1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine (CID 79859970) is 1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine is CCCNC1C(N(CC)CC2CCCO2)CCC1(C)C.
What is the InChIKey of 1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine?
The InChIKey is HVOCDENIGJMGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-11-18-16-15(9-10-17(16,3)4)19(6-2)13-14-8-7-12-20-14/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine?
1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine has a molecular weight of 282.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine is sourced from PubChem (CID 79859970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).