1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine

C13H28N2 — CID 79643301

IUPAC1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine
SMILESCCNC1CCC(N(C)C(C)C(C)C)C1
InChIInChI=1S/C13H28N2/c1-6-14-12-7-8-13(9-12)15(5)11(4)10(2)3/h10-14H,6-9H2,1-5H3
InChIKeyLAJBXHNJBXJHLV-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds5

About 1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine

1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine (PubChem CID 79643301) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine
PubChem CID79643301
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine
SMILESCCNC1CCC(N(C)C(C)C(C)C)C1
InChIInChI=1S/C13H28N2/c1-6-14-12-7-8-13(9-12)15(5)11(4)10(2)3/h10-14H,6-9H2,1-5H3
InChIKeyLAJBXHNJBXJHLV-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine
CID 79631344
3-N-cyclopentyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79644118
1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine
CID 107869628
3-N-cyclohexyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79642460
1-N-ethyl-3-N-(4-ethylcyclohexyl)-3-N-methylcyclopentane-1,3-diamine
CID 79642724
2-[[4-(ethylamino)cyclohexyl]-methylamino]propanamide
CID 79122902
(3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine
CID 171100893
3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol
CID 82842720
3-N-cyclopropyl-1-N-ethyl-3-N-(2-methoxyethyl)cyclopentane-1,3-diamine
CID 79643074
N-ethyl-3-(2-methylpropyl)cyclopentan-1-amine
CID 64504045
1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine
CID 79643078
3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine
CID 79643445

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine?
The IUPAC name of 1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine (CID 79643301) is 1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine is CCNC1CCC(N(C)C(C)C(C)C)C1.
What is the InChIKey of 1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine?
The InChIKey is LAJBXHNJBXJHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-14-12-7-8-13(9-12)15(5)11(4)10(2)3/h10-14H,6-9H2,1-5H3.
What are the key properties of 1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine?
1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79643301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).