N,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine

C12H23NS — CID 163708929

IUPACN,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine
SMILESC=C(CC1CSCC1(C)NC)C(C)C
InChIInChI=1S/C12H23NS/c1-9(2)10(3)6-11-7-14-8-12(11,4)13-5/h9,11,13H,3,6-8H2,1-2,4-5H3
InChIKeyKHMUAQOBIYVNRY-UHFFFAOYSA-N
MW213.39 g/mol
LogP2.93
Rot. Bonds4

About N,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine

N,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine (PubChem CID 163708929) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine.

Molecular Properties

Compound NameN,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine
PubChem CID163708929
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine
SMILESC=C(CC1CSCC1(C)NC)C(C)C
InChIInChI=1S/C12H23NS/c1-9(2)10(3)6-11-7-14-8-12(11,4)13-5/h9,11,13H,3,6-8H2,1-2,4-5H3
InChIKeyKHMUAQOBIYVNRY-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2,6-trimethyl-11-[2-methyl-4-(2-methyl-4-methylideneheptan-2-yl)sulfanylpentan-2-yl]sulfanylundecan-2-amine
CID 155002156
N,3-dimethyl-4-prop-1-en-2-ylthiolan-3-amine
CID 156386873
N-methyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine
CID 105108392
N-ethyl-1-(thiolan-3-yl)hex-5-en-1-amine
CID 105153110
N-propyl-1-(thiolan-3-yl)hex-5-en-1-amine
CID 105153120
N-methyl-1-(thiolan-3-yl)hex-5-en-1-amine
CID 105153139
N-methyl-1-(2-methylthiolan-2-yl)hex-5-en-1-amine
CID 105153176
N-methyl-1-(thiolan-3-yl)pent-4-en-1-amine
CID 105153448
N-ethyl-3-methyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine
CID 105162950
N,4-dimethyl-1-(thian-4-yl)pent-4-en-2-amine
CID 105163018
N-ethyl-3-methyl-1-(thiolan-3-yl)but-3-en-1-amine
CID 105163025
3-methyl-N-propyl-1-(thiolan-3-yl)but-3-en-1-amine
CID 105163034

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine?
The IUPAC name of N,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine (CID 163708929) is N,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine.
What is the SMILES notation for N,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine?
The canonical SMILES for N,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine is C=C(CC1CSCC1(C)NC)C(C)C.
What is the InChIKey of N,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine?
The InChIKey is KHMUAQOBIYVNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-9(2)10(3)6-11-7-14-8-12(11,4)13-5/h9,11,13H,3,6-8H2,1-2,4-5H3.
What are the key properties of N,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine?
N,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine has a molecular weight of 213.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine is sourced from PubChem (CID 163708929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).