N-(3-ethylpentan-2-yl)-2-methylthiolan-3-amine

C12H25NS — CID 102672154

IUPACN-(3-ethylpentan-2-yl)-2-methylthiolan-3-amine
SMILESCCC(CC)C(C)NC1CCSC1C
InChIInChI=1S/C12H25NS/c1-5-11(6-2)9(3)13-12-7-8-14-10(12)4/h9-13H,5-8H2,1-4H3
InChIKeyYTKZYBXSINLWPN-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.29
Rot. Bonds5

About N-(3-ethylpentan-2-yl)-2-methylthiolan-3-amine

N-(3-ethylpentan-2-yl)-2-methylthiolan-3-amine (PubChem CID 102672154) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-2-methylthiolan-3-amine.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-2-methylthiolan-3-amine
PubChem CID102672154
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-(3-ethylpentan-2-yl)-2-methylthiolan-3-amine
SMILESCCC(CC)C(C)NC1CCSC1C
InChIInChI=1S/C12H25NS/c1-5-11(6-2)9(3)13-12-7-8-14-10(12)4/h9-13H,5-8H2,1-4H3
InChIKeyYTKZYBXSINLWPN-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethylpentan-2-yl)-2-methylthian-3-amine
CID 79957150
2-methyl-N-pentan-2-ylthiolan-3-amine
CID 102671361
3-[(2-methylthiolan-3-yl)amino]pentan-1-ol
CID 102672340
3-[(2-methylthiolan-3-yl)amino]pentanenitrile
CID 102673060
trans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol
CID 102733490
2-methyl-N-pent-1-yn-3-ylthian-3-amine
CID 106224949
2-[(2-methylthian-3-yl)amino]propan-1-ol
CID 79957366
2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine
CID 102684058
N-(3-ethylpentan-2-yl)cyclohexanamine
CID 63842425
1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine
CID 79956626
methyl 3-methyl-2-[(2-methylthian-3-yl)amino]pentanoate
CID 79956844
2-methyl-N-(2-methylthiolan-3-yl)propanamide
CID 130647611

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-2-methylthiolan-3-amine?
The IUPAC name of N-(3-ethylpentan-2-yl)-2-methylthiolan-3-amine (CID 102672154) is N-(3-ethylpentan-2-yl)-2-methylthiolan-3-amine.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-2-methylthiolan-3-amine?
The canonical SMILES for N-(3-ethylpentan-2-yl)-2-methylthiolan-3-amine is CCC(CC)C(C)NC1CCSC1C.
What is the InChIKey of N-(3-ethylpentan-2-yl)-2-methylthiolan-3-amine?
The InChIKey is YTKZYBXSINLWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-5-11(6-2)9(3)13-12-7-8-14-10(12)4/h9-13H,5-8H2,1-4H3.
What are the key properties of N-(3-ethylpentan-2-yl)-2-methylthiolan-3-amine?
N-(3-ethylpentan-2-yl)-2-methylthiolan-3-amine has a molecular weight of 215.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-2-methylthiolan-3-amine is sourced from PubChem (CID 102672154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).