N-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine

C14H29NS — CID 107448809

IUPACN-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
SMILESCCSCC(C)NC1CCCC(C(C)C)C1
InChIInChI=1S/C14H29NS/c1-5-16-10-12(4)15-14-8-6-7-13(9-14)11(2)3/h11-15H,5-10H2,1-4H3
InChIKeyYHJCPFSGEVYCSL-UHFFFAOYSA-N
MW243.46 g/mol
LogP3.93
Rot. Bonds6

About N-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine

N-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107448809) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
PubChem CID107448809
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
SMILESCCSCC(C)NC1CCCC(C(C)C)C1
InChIInChI=1S/C14H29NS/c1-5-16-10-12(4)15-14-8-6-7-13(9-14)11(2)3/h11-15H,5-10H2,1-4H3
InChIKeyYHJCPFSGEVYCSL-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448780
N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107447751
N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107448786
N-(1-ethylsulfanylpropan-2-yl)-2-methylcyclopentan-1-amine
CID 115725602
1-ethyl-N-(1-ethylsulfanylpropan-2-yl)piperidin-4-amine
CID 115725724
trans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol
CID 102731732
N-(1-phenylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448510
N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine
CID 106227218
N-(1-methylsulfanylpropan-2-yl)cyclopentanamine
CID 115721778
N-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine
CID 56708476
N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 103781048
N-pentyl-3-propan-2-ylcyclohexan-1-amine
CID 107447748

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine (CID 107448809) is N-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine is CCSCC(C)NC1CCCC(C(C)C)C1.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is YHJCPFSGEVYCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-5-16-10-12(4)15-14-8-6-7-13(9-14)11(2)3/h11-15H,5-10H2,1-4H3.
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine?
N-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 243.46 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107448809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).