N-[[2-(2-propan-2-ylsulfanylethyl)cycloheptyl]methyl]propan-2-amine

C16H33NS — CID 114268931

IUPACN-[[2-(2-propan-2-ylsulfanylethyl)cycloheptyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCCC1CCSC(C)C
InChIInChI=1S/C16H33NS/c1-13(2)17-12-16-9-7-5-6-8-15(16)10-11-18-14(3)4/h13-17H,5-12H2,1-4H3
InChIKeyNHPZAPZBVSBNQB-UHFFFAOYSA-N
MW271.51 g/mol
LogP4.71
Rot. Bonds7

About N-[[2-(2-propan-2-ylsulfanylethyl)cycloheptyl]methyl]propan-2-amine

N-[[2-(2-propan-2-ylsulfanylethyl)cycloheptyl]methyl]propan-2-amine (PubChem CID 114268931) has the molecular formula C16H33NS and a molecular weight of 271.51 g/mol. Its IUPAC name is N-[[2-(2-propan-2-ylsulfanylethyl)cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-propan-2-ylsulfanylethyl)cycloheptyl]methyl]propan-2-amine
PubChem CID114268931
Molecular FormulaC16H33NS
Molecular Weight271.51 g/mol
Exact Mass271.23
IUPAC NameN-[[2-(2-propan-2-ylsulfanylethyl)cycloheptyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCCC1CCSC(C)C
InChIInChI=1S/C16H33NS/c1-13(2)17-12-16-9-7-5-6-8-15(16)10-11-18-14(3)4/h13-17H,5-12H2,1-4H3
InChIKeyNHPZAPZBVSBNQB-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

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Related Compounds

N-[[2-(3-methylbutyl)cyclopentyl]methyl]propan-2-amine
CID 81034843
N-[[2-(cyclohexylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81034855
N-[(2-ethylcyclopentyl)methyl]propan-2-amine
CID 58787055
N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine
CID 81028737
N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine
CID 114477712
N-[[2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]propan-2-amine
CID 81024162
N-[(2-benzylcycloheptyl)methyl]propan-2-amine
CID 81026493
N-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine
CID 81017330
N-(2-propan-2-ylsulfanylethyl)cycloheptanamine
CID 62579320
N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 107059258
N-[[2-(4,4-dimethylpent-2-ynyl)cyclohexyl]methyl]propan-2-amine
CID 114190489
N-[[2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 81024018

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-propan-2-ylsulfanylethyl)cycloheptyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-propan-2-ylsulfanylethyl)cycloheptyl]methyl]propan-2-amine (CID 114268931) is N-[[2-(2-propan-2-ylsulfanylethyl)cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-propan-2-ylsulfanylethyl)cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-propan-2-ylsulfanylethyl)cycloheptyl]methyl]propan-2-amine is CC(C)NCC1CCCCCC1CCSC(C)C.
What is the InChIKey of N-[[2-(2-propan-2-ylsulfanylethyl)cycloheptyl]methyl]propan-2-amine?
The InChIKey is NHPZAPZBVSBNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NS/c1-13(2)17-12-16-9-7-5-6-8-15(16)10-11-18-14(3)4/h13-17H,5-12H2,1-4H3.
What are the key properties of N-[[2-(2-propan-2-ylsulfanylethyl)cycloheptyl]methyl]propan-2-amine?
N-[[2-(2-propan-2-ylsulfanylethyl)cycloheptyl]methyl]propan-2-amine has a molecular weight of 271.51 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-propan-2-ylsulfanylethyl)cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 114268931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).