N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine

C16H33NS — CID 114125031

IUPACN-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCSCCCCCCNC1CCC(C(C)C)CC1
InChIInChI=1S/C16H33NS/c1-14(2)15-8-10-16(11-9-15)17-12-6-4-5-7-13-18-3/h14-17H,4-13H2,1-3H3
InChIKeyMAWOYUFTAQQBRH-UHFFFAOYSA-N
MW271.51 g/mol
LogP4.71
Rot. Bonds9

About N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine

N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 114125031) has the molecular formula C16H33NS and a molecular weight of 271.51 g/mol. Its IUPAC name is N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID114125031
Molecular FormulaC16H33NS
Molecular Weight271.51 g/mol
Exact Mass271.23
IUPAC NameN-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCSCCCCCCNC1CCC(C(C)C)CC1
InChIInChI=1S/C16H33NS/c1-14(2)15-8-10-16(11-9-15)17-12-6-4-5-7-13-18-3/h14-17H,4-13H2,1-3H3
InChIKeyMAWOYUFTAQQBRH-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191
N-hexyl-4-propan-2-ylcyclohexan-1-amine
CID 63421018
4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
CID 104530252
N-pentyl-4-propan-2-ylcyclohexan-1-amine
CID 63418461
N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine
CID 103698848
N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 62707679
4-(3-methylsulfanylpropylamino)cyclohexan-1-ol
CID 28615263
N-(3-methylsulfanylpropyl)cyclohexanamine
CID 28609981
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
5-[(4-propan-2-ylcyclohexyl)amino]pentan-2-ol
CID 107267674
N-(3-methylsulfanylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 28717328
1-(cyclopropylamino)-N-(5-methylsulfanylpentyl)propane-2-sulfonamide
CID 106093649

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine (CID 114125031) is N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine is CSCCCCCCNC1CCC(C(C)C)CC1.
What is the InChIKey of N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is MAWOYUFTAQQBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NS/c1-14(2)15-8-10-16(11-9-15)17-12-6-4-5-7-13-18-3/h14-17H,4-13H2,1-3H3.
What are the key properties of N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine?
N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 271.51 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 114125031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).