2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine

C17H35N3 — CID 79828545

IUPAC2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
SMILESCCNC1C(N(C)CC2CCN(C)C2)CCCC1(C)C
InChIInChI=1S/C17H35N3/c1-6-18-16-15(8-7-10-17(16,2)3)20(5)13-14-9-11-19(4)12-14/h14-16,18H,6-13H2,1-5H3
InChIKeyAPOFUGBAHLEESA-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.43
Rot. Bonds5

About 2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine

2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine (PubChem CID 79828545) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
PubChem CID79828545
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
SMILESCCNC1C(N(C)CC2CCN(C)C2)CCCC1(C)C
InChIInChI=1S/C17H35N3/c1-6-18-16-15(8-7-10-17(16,2)3)20(5)13-14-9-11-19(4)12-14/h14-16,18H,6-13H2,1-5H3
InChIKeyAPOFUGBAHLEESA-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-ethyl-1-N,3,3-trimethyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,2-diamine
CID 79829226
1-N-(cyclopentylmethyl)-1-N,2-N,3,3-tetramethylcyclohexane-1,2-diamine
CID 79828953
3-N-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine
CID 79617842
1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine
CID 63275645
1-N,3,3-trimethyl-1-N-(1-methylpiperidin-4-yl)-2-N-propylcyclohexane-1,2-diamine
CID 79835811
1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine
CID 63275821
2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-methylcyclohexyl)cyclohexane-1,2-diamine
CID 79828933
2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine
CID 79829501
N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79853183
1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine
CID 79859850
N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 80998479
N-ethyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55170284

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine (CID 79828545) is 2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine is CCNC1C(N(C)CC2CCN(C)C2)CCCC1(C)C.
What is the InChIKey of 2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine?
The InChIKey is APOFUGBAHLEESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-6-18-16-15(8-7-10-17(16,2)3)20(5)13-14-9-11-19(4)12-14/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine?
2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine has a molecular weight of 281.49 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 79828545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).