2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-ethylcyclohexan-1-amine

C17H35N3 — CID 62609457

IUPAC2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(CN2CCC(CN(C)C)CC2)C1
InChIInChI=1S/C17H35N3/c1-4-14-5-6-17(18)16(11-14)13-20-9-7-15(8-10-20)12-19(2)3/h14-17H,4-13,18H2,1-3H3
InChIKeyWTWWBSGEXMFFDT-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.41
Rot. Bonds5

About 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-ethylcyclohexan-1-amine

2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-ethylcyclohexan-1-amine (PubChem CID 62609457) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-ethylcyclohexan-1-amine
PubChem CID62609457
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(CN2CCC(CN(C)C)CC2)C1
InChIInChI=1S/C17H35N3/c1-4-14-5-6-17(18)16(11-14)13-20-9-7-15(8-10-20)12-19(2)3/h14-17H,4-13,18H2,1-3H3
InChIKeyWTWWBSGEXMFFDT-UHFFFAOYSA-N
XLogP2.41
TPSA32.50 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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616060
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62708869
4-ethyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
CID 63623585
2-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63495460
4-ethyl-2-[(3-ethylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 62616464
2-[(4-ethylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 62609501
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]piperidin-4-amine
CID 79328289
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]cycloheptan-1-ol
CID 62610429
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N-ethylcyclopentan-1-amine
CID 55094514
4-ethyl-2-[[methyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine
CID 62616277
4-ethyl-2-[(4-propylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 62611300
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62707955

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-ethylcyclohexan-1-amine?
The IUPAC name of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-ethylcyclohexan-1-amine (CID 62609457) is 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-ethylcyclohexan-1-amine?
The canonical SMILES for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-ethylcyclohexan-1-amine is CCC1CCC(N)C(CN2CCC(CN(C)C)CC2)C1.
What is the InChIKey of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-ethylcyclohexan-1-amine?
The InChIKey is WTWWBSGEXMFFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-14-5-6-17(18)16(11-14)13-20-9-7-15(8-10-20)12-19(2)3/h14-17H,4-13,18H2,1-3H3.
What are the key properties of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-ethylcyclohexan-1-amine?
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-ethylcyclohexan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 62609457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).