N-(3,3-dimethylcyclopentyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

C14H28N2O — CID 114544829

IUPACN-(3,3-dimethylcyclopentyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)NC2CCC(C)(C)C2)O1
InChIInChI=1S/C14H28N2O/c1-10-4-5-13(17-10)12(9-15)16-11-6-7-14(2,3)8-11/h10-13,16H,4-9,15H2,1-3H3
InChIKeyCUOFAFJZCIYQCM-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.05
Rot. Bonds4

About N-(3,3-dimethylcyclopentyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

N-(3,3-dimethylcyclopentyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (PubChem CID 114544829) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
PubChem CID114544829
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(3,3-dimethylcyclopentyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)NC2CCC(C)(C)C2)O1
InChIInChI=1S/C14H28N2O/c1-10-4-5-13(17-10)12(9-15)16-11-6-7-14(2,3)8-11/h10-13,16H,4-9,15H2,1-3H3
InChIKeyCUOFAFJZCIYQCM-UHFFFAOYSA-N
XLogP2.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-[[4-(methylaminomethyl)oxolan-2-yl]methyl]ethanamine
CID 156126816
N-(cyclopentylmethyl)-1-(oxolan-2-yl)ethanamine
CID 61344284
1-cyclopentyl-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62072109
1-cyclopentyl-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62072277
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62554177
1-cyclopentyl-N-[1-(oxolan-2-yl)ethyl]ethanamine
CID 62632079
N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62930834
N-[2-(8-azaspiro[4.5]decan-8-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 63163345
2-(8-azaspiro[4.5]decan-8-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63163669
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 63656737
N'-(cyclopentylmethyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 63657354
1-(4-methoxypyrrolidin-2-yl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63829262

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (CID 114544829) is N-(3,3-dimethylcyclopentyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is CC1CCC(C(CN)NC2CCC(C)(C)C2)O1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The InChIKey is CUOFAFJZCIYQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10-4-5-13(17-10)12(9-15)16-11-6-7-14(2,3)8-11/h10-13,16H,4-9,15H2,1-3H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
N-(3,3-dimethylcyclopentyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 114544829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).