1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine

C17H30N2S — CID 64761981

IUPAC1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(C)C(CN)(N(Cc2cccs2)C(C)C)C1
InChIInChI=1S/C17H30N2S/c1-13(2)19(11-16-6-5-9-20-16)17(12-18)10-14(3)7-8-15(17)4/h5-6,9,13-15H,7-8,10-12,18H2,1-4H3
InChIKeyWZOCDIJPTZSGOY-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.11
Rot. Bonds5

About 1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine

1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine (PubChem CID 64761981) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
PubChem CID64761981
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(C)C(CN)(N(Cc2cccs2)C(C)C)C1
InChIInChI=1S/C17H30N2S/c1-13(2)19(11-16-6-5-9-20-16)17(12-18)10-14(3)7-8-15(17)4/h5-6,9,13-15H,7-8,10-12,18H2,1-4H3
InChIKeyWZOCDIJPTZSGOY-UHFFFAOYSA-N
XLogP4.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 61452996
1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 64762159
1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 103562740
1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 106662989
1-(aminomethyl)-N-butan-2-yl-N-ethyl-2,5-dimethylcyclohexan-1-amine
CID 64760554
3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine
CID 79959004
3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine
CID 79947969
1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
CID 79475974
3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine
CID 82718623
3-(aminomethyl)-N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)thiolan-3-amine
CID 79950337
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 113440590
2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 79865626

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine (CID 64761981) is 1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine is CC1CCC(C)C(CN)(N(Cc2cccs2)C(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is WZOCDIJPTZSGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-13(2)19(11-16-6-5-9-20-16)17(12-18)10-14(3)7-8-15(17)4/h5-6,9,13-15H,7-8,10-12,18H2,1-4H3.
What are the key properties of 1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 64761981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).