1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine

C13H28N2O — CID 79859815

IUPAC1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine
SMILESCNC1C(N(C)C(C)COC)CCC1(C)C
InChIInChI=1S/C13H28N2O/c1-10(9-16-6)15(5)11-7-8-13(2,3)12(11)14-4/h10-12,14H,7-9H2,1-6H3
InChIKeyQQNBFEKQIWXKDF-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds5

About 1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine

1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine (PubChem CID 79859815) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine
PubChem CID79859815
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine
SMILESCNC1C(N(C)C(C)COC)CCC1(C)C
InChIInChI=1S/C13H28N2O/c1-10(9-16-6)15(5)11-7-8-13(2,3)12(11)14-4/h10-12,14H,7-9H2,1-6H3
InChIKeyQQNBFEKQIWXKDF-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-1-N-(1-methoxypropan-2-yl)-1-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79828606
1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79828530
1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine
CID 79859981
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-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine
CID 79829504
1-N-cyclopentyl-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine
CID 79864395
1-N-(3-methoxypropyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine
CID 79828541
1-N-(2,2-dimethylpropyl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine
CID 79859576
1-N,1-N-dibutyl-2-N,3,3-trimethylcyclopentane-1,2-diamine
CID 79864029
1-N-[2-(dimethylamino)ethyl]-2-N,3,3-trimethyl-1-N-propylcyclopentane-1,2-diamine
CID 79859662
2-N-ethyl-1-N-(2-methoxyethyl)-1-N,3,3-trimethylcyclopentane-1,2-diamine
CID 79859559

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine?
The IUPAC name of 1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine (CID 79859815) is 1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine is CNC1C(N(C)C(C)COC)CCC1(C)C.
What is the InChIKey of 1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine?
The InChIKey is QQNBFEKQIWXKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(9-16-6)15(5)11-7-8-13(2,3)12(11)14-4/h10-12,14H,7-9H2,1-6H3.
What are the key properties of 1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine?
1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-methoxypropan-2-yl)-1-N,2-N,3,3-tetramethylcyclopentane-1,2-diamine is sourced from PubChem (CID 79859815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).