trans-(1R,3R)-N-[(3S)-3-ethylheptyl]-3-[(R)-ethylsulfinyl]cyclohexan-1-amine

C17H35NOS — CID 124840533

IUPACtrans-(1R,3R)-N-[(3S)-3-ethylheptyl]-3-[(R)-ethylsulfinyl]cyclohexan-1-amine
SMILESCCCCC(CC)CCN[C@@H]1CCC[C@@H]([S@](=O)CC)C1
InChIInChI=1S/C17H35NOS/c1-4-7-9-15(5-2)12-13-18-16-10-8-11-17(14-16)20(19)6-3/h15-18H,4-14H2,1-3H3/t15?,16-,17-,20-/m1/s1
InChIKeyFUCBSMQHBJPZGH-RXKHTKJTSA-N
MW301.54 g/mol
LogP4.26
Rot. Bonds10

About trans-(1R,3R)-N-[(3S)-3-ethylheptyl]-3-[(R)-ethylsulfinyl]cyclohexan-1-amine

trans-(1R,3R)-N-[(3S)-3-ethylheptyl]-3-[(R)-ethylsulfinyl]cyclohexan-1-amine (PubChem CID 124840533) has the molecular formula C17H35NOS and a molecular weight of 301.54 g/mol. Its IUPAC name is trans-(1R,3R)-N-[(3S)-3-ethylheptyl]-3-[(R)-ethylsulfinyl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-N-[(3S)-3-ethylheptyl]-3-[(R)-ethylsulfinyl]cyclohexan-1-amine
PubChem CID124840533
Molecular FormulaC17H35NOS
Molecular Weight301.54 g/mol
Exact Mass301.24
IUPAC Nametrans-(1R,3R)-N-[(3S)-3-ethylheptyl]-3-[(R)-ethylsulfinyl]cyclohexan-1-amine
SMILESCCCCC(CC)CCN[C@@H]1CCC[C@@H]([S@](=O)CC)C1
InChIInChI=1S/C17H35NOS/c1-4-7-9-15(5-2)12-13-18-16-10-8-11-17(14-16)20(19)6-3/h15-18H,4-14H2,1-3H3/t15?,16-,17-,20-/m1/s1
InChIKeyFUCBSMQHBJPZGH-RXKHTKJTSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.54
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,3R)-N-[(3S)-3-ethylheptyl]-3-[(R)-ethylsulfinyl]cyclohexan-1-amine with MolForge

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Related Compounds

N-(2-ethylhexyl)-3-methylsulfonylcyclohexan-1-amine
CID 107820018
1-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109440055
1-ethyl-2-(2-ethylbutyl)-3-(3-ethylsulfinylcyclohexyl)guanidine
CID 109438567
N-(2-ethylhexyl)-3-methylcyclopentan-1-amine
CID 64500388
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
1-(2-butoxyethyl)-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109436867
tert-butyl N-[3-(2-ethylhexylamino)cyclohexyl]carbamate
CID 103720045
3-[(4-chlorophenyl)methylsulfinyl]-N-propylcyclohexan-1-amine
CID 114792146
N-propyl-3-propylsulfinylcyclopentan-1-amine
CID 64722656
sodium 3-[2-(cyclopentylamino)ethyl]pentadecanoate
CID 23682154
1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109439505
cis-(1S,3R)-N-[(1S,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 124829993

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N-[(3S)-3-ethylheptyl]-3-[(R)-ethylsulfinyl]cyclohexan-1-amine?
The IUPAC name of trans-(1R,3R)-N-[(3S)-3-ethylheptyl]-3-[(R)-ethylsulfinyl]cyclohexan-1-amine (CID 124840533) is trans-(1R,3R)-N-[(3S)-3-ethylheptyl]-3-[(R)-ethylsulfinyl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,3R)-N-[(3S)-3-ethylheptyl]-3-[(R)-ethylsulfinyl]cyclohexan-1-amine?
The canonical SMILES for trans-(1R,3R)-N-[(3S)-3-ethylheptyl]-3-[(R)-ethylsulfinyl]cyclohexan-1-amine is CCCCC(CC)CCN[C@@H]1CCC[C@@H]([S@](=O)CC)C1.
What is the InChIKey of trans-(1R,3R)-N-[(3S)-3-ethylheptyl]-3-[(R)-ethylsulfinyl]cyclohexan-1-amine?
The InChIKey is FUCBSMQHBJPZGH-RXKHTKJTSA-N. The full InChI is InChI=1S/C17H35NOS/c1-4-7-9-15(5-2)12-13-18-16-10-8-11-17(14-16)20(19)6-3/h15-18H,4-14H2,1-3H3/t15?,16-,17-,20-/m1/s1.
What are the key properties of trans-(1R,3R)-N-[(3S)-3-ethylheptyl]-3-[(R)-ethylsulfinyl]cyclohexan-1-amine?
trans-(1R,3R)-N-[(3S)-3-ethylheptyl]-3-[(R)-ethylsulfinyl]cyclohexan-1-amine has a molecular weight of 301.54 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N-[(3S)-3-ethylheptyl]-3-[(R)-ethylsulfinyl]cyclohexan-1-amine is sourced from PubChem (CID 124840533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).