N-[1-[4-(trimethyl-λ4-sulfanyl)cyclohexyl]ethyl]propan-2-amine

C14H31NS — CID 123593669

IUPACN-[1-[4-(trimethyl-λ4-sulfanyl)cyclohexyl]ethyl]propan-2-amine
SMILESCC(C)NC(C)C1CCC(S(C)(C)C)CC1
InChIInChI=1S/C14H31NS/c1-11(2)15-12(3)13-7-9-14(10-8-13)16(4,5)6/h11-15H,7-10H2,1-6H3
InChIKeyUYXPMPUDRFTVKF-UHFFFAOYSA-N
MW245.48 g/mol
LogP3.63
Rot. Bonds4

About N-[1-[4-(trimethyl-λ4-sulfanyl)cyclohexyl]ethyl]propan-2-amine

N-[1-[4-(trimethyl-λ4-sulfanyl)cyclohexyl]ethyl]propan-2-amine (PubChem CID 123593669) has the molecular formula C14H31NS and a molecular weight of 245.48 g/mol. Its IUPAC name is N-[1-[4-(trimethyl-λ4-sulfanyl)cyclohexyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-[4-(trimethyl-λ4-sulfanyl)cyclohexyl]ethyl]propan-2-amine
PubChem CID123593669
Molecular FormulaC14H31NS
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC NameN-[1-[4-(trimethyl-λ4-sulfanyl)cyclohexyl]ethyl]propan-2-amine
SMILESCC(C)NC(C)C1CCC(S(C)(C)C)CC1
InChIInChI=1S/C14H31NS/c1-11(2)15-12(3)13-7-9-14(10-8-13)16(4,5)6/h11-15H,7-10H2,1-6H3
InChIKeyUYXPMPUDRFTVKF-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trimethyl-λ4-sulfanyl)cyclohexyl]ethyl]propan-2-amine?
The IUPAC name of N-[1-[4-(trimethyl-λ4-sulfanyl)cyclohexyl]ethyl]propan-2-amine (CID 123593669) is N-[1-[4-(trimethyl-λ4-sulfanyl)cyclohexyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[1-[4-(trimethyl-λ4-sulfanyl)cyclohexyl]ethyl]propan-2-amine?
The canonical SMILES for N-[1-[4-(trimethyl-λ4-sulfanyl)cyclohexyl]ethyl]propan-2-amine is CC(C)NC(C)C1CCC(S(C)(C)C)CC1.
What is the InChIKey of N-[1-[4-(trimethyl-λ4-sulfanyl)cyclohexyl]ethyl]propan-2-amine?
The InChIKey is UYXPMPUDRFTVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NS/c1-11(2)15-12(3)13-7-9-14(10-8-13)16(4,5)6/h11-15H,7-10H2,1-6H3.
What are the key properties of N-[1-[4-(trimethyl-λ4-sulfanyl)cyclohexyl]ethyl]propan-2-amine?
N-[1-[4-(trimethyl-λ4-sulfanyl)cyclohexyl]ethyl]propan-2-amine has a molecular weight of 245.48 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trimethyl-λ4-sulfanyl)cyclohexyl]ethyl]propan-2-amine is sourced from PubChem (CID 123593669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).