1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine

C15H30N2O — CID 82734966

IUPAC1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine
SMILESCCCNC1C(N(C)C2CCOC2)CCC1(C)C
InChIInChI=1S/C15H30N2O/c1-5-9-16-14-13(6-8-15(14,2)3)17(4)12-7-10-18-11-12/h12-14,16H,5-11H2,1-4H3
InChIKeyYTJFMMZCKFYOOD-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds5

About 1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine

1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine (PubChem CID 82734966) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine
PubChem CID82734966
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine
SMILESCCCNC1C(N(C)C2CCOC2)CCC1(C)C
InChIInChI=1S/C15H30N2O/c1-5-9-16-14-13(6-8-15(14,2)3)17(4)12-7-10-18-11-12/h12-14,16H,5-11H2,1-4H3
InChIKeyYTJFMMZCKFYOOD-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine
CID 82735228
1-N,3,3-trimethyl-1-N-(1-methylpiperidin-4-yl)-2-N-propylcyclohexane-1,2-diamine
CID 79835811
1-N-[2-(dimethylamino)ethyl]-1-N,3,3-trimethyl-2-N-propylcyclopentane-1,2-diamine
CID 79860080
4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine
CID 82732254
1-N-cyclopropyl-3,3-dimethyl-1-N-(2-methylpropyl)-2-N-propylcyclopentane-1,2-diamine
CID 79860298
3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 82743171
2,2-dimethyl-5-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine
CID 79862414
1-N-ethyl-3,3-dimethyl-1-N-(oxolan-2-ylmethyl)-2-N-propylcyclopentane-1,2-diamine
CID 79859970
N-[[3,3-dimethyl-2-(methylamino)cyclopentyl]methyl]-N-methyloxolan-3-amine
CID 82743146
2,2-dimethyl-5-(oxan-4-ylmethoxy)-N-propylcyclopentan-1-amine
CID 79857761
1-N-ethyl-3,3-dimethyl-1-N-(2-methylbutyl)-2-N-propylcyclopentane-1,2-diamine
CID 79859524
1-N-cyclopentyl-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine
CID 79864395

Frequently Asked Questions

What is the IUPAC name of 1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine?
The IUPAC name of 1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine (CID 82734966) is 1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine is CCCNC1C(N(C)C2CCOC2)CCC1(C)C.
What is the InChIKey of 1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine?
The InChIKey is YTJFMMZCKFYOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-9-16-14-13(6-8-15(14,2)3)17(4)12-7-10-18-11-12/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine?
1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine is sourced from PubChem (CID 82734966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).