1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine

C15H32N2O — CID 79643078

IUPAC1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine
SMILESCCNC1CCC(N(CCOC)C(CC)CC)C1
InChIInChI=1S/C15H32N2O/c1-5-14(6-2)17(10-11-18-4)15-9-8-13(12-15)16-7-3/h13-16H,5-12H2,1-4H3
InChIKeySYKFGMMINZQQBM-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.65
Rot. Bonds9

About 1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine

1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine (PubChem CID 79643078) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine
PubChem CID79643078
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine
SMILESCCNC1CCC(N(CCOC)C(CC)CC)C1
InChIInChI=1S/C15H32N2O/c1-5-14(6-2)17(10-11-18-4)15-9-8-13(12-15)16-7-3/h13-16H,5-12H2,1-4H3
InChIKeySYKFGMMINZQQBM-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-cyclopropyl-1-N-ethyl-3-N-(2-methoxyethyl)cyclopentane-1,3-diamine
CID 79643074
1-N,3-N-diethyl-1-N-(2-methoxyethyl)cyclohexane-1,3-diamine
CID 79618929
1-N,4-N-diethyl-4-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 114762995
3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine
CID 79618497
1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine
CID 79618055
3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine
CID 79643445
1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine
CID 107869628
3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylcyclopentane-1,3-diamine
CID 79644162
1-N,2-N-dicyclopropyl-2-N-(2-methoxyethyl)-3-methylbutane-1,2-diamine
CID 62437164
1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine
CID 104646719
1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclopentane-1,2-diamine
CID 79859981
1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine
CID 79829504

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine?
The IUPAC name of 1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine (CID 79643078) is 1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine is CCNC1CCC(N(CCOC)C(CC)CC)C1.
What is the InChIKey of 1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine?
The InChIKey is SYKFGMMINZQQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-14(6-2)17(10-11-18-4)15-9-8-13(12-15)16-7-3/h13-16H,5-12H2,1-4H3.
What are the key properties of 1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine?
1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine is sourced from PubChem (CID 79643078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).