N-methyl-1-(2-methylthiolan-2-yl)hex-5-en-1-amine

C12H23NS — CID 105153176

IUPACN-methyl-1-(2-methylthiolan-2-yl)hex-5-en-1-amine
SMILESC=CCCCC(NC)C1(C)CCCS1
InChIInChI=1S/C12H23NS/c1-4-5-6-8-11(13-3)12(2)9-7-10-14-12/h4,11,13H,1,5-10H2,2-3H3
InChIKeyFPTFOFAOSZSEHD-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.22
Rot. Bonds6

About N-methyl-1-(2-methylthiolan-2-yl)hex-5-en-1-amine

N-methyl-1-(2-methylthiolan-2-yl)hex-5-en-1-amine (PubChem CID 105153176) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N-methyl-1-(2-methylthiolan-2-yl)hex-5-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylthiolan-2-yl)hex-5-en-1-amine
PubChem CID105153176
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN-methyl-1-(2-methylthiolan-2-yl)hex-5-en-1-amine
SMILESC=CCCCC(NC)C1(C)CCCS1
InChIInChI=1S/C12H23NS/c1-4-5-6-8-11(13-3)12(2)9-7-10-14-12/h4,11,13H,1,5-10H2,2-3H3
InChIKeyFPTFOFAOSZSEHD-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-prop-2-enylthiolan-3-amine
CID 57017771
2-methyl-N,2-dipropyl-3H-thiophen-3-amine
CID 57027759
N-ethyl-2-methyl-2-propyl-3H-thiophen-3-amine
CID 57262193
2-Pentyl-5,5-bis(prop-2-enyl)-1,3-thiazolidine
CID 69921126
4-ethenyl-2-ethyl-N,8-dimethyl-9-methylsulfanyldodecan-1-amine
CID 123309984
1-N-[6-[3-methyl-4-(methylamino)thiolan-2-yl]hex-1-en-2-yl]hexane-1,5-diamine;prop-1-ene
CID 141828038
N,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine
CID 163708929
N-ethenyl-5-hex-5-enyl-4-methylthiolan-3-amine
CID 169898049
1-tert-butylsulfanyl-N-methylhept-6-en-2-amine
CID 65133103
N-(cyclohex-3-en-1-ylmethyl)-5-methylthiolan-3-amine
CID 79950200
N-methyl-1-(thiolan-2-yl)pent-4-en-1-amine
CID 80621534
N-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine
CID 80621672

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylthiolan-2-yl)hex-5-en-1-amine?
The IUPAC name of N-methyl-1-(2-methylthiolan-2-yl)hex-5-en-1-amine (CID 105153176) is N-methyl-1-(2-methylthiolan-2-yl)hex-5-en-1-amine.
What is the SMILES notation for N-methyl-1-(2-methylthiolan-2-yl)hex-5-en-1-amine?
The canonical SMILES for N-methyl-1-(2-methylthiolan-2-yl)hex-5-en-1-amine is C=CCCCC(NC)C1(C)CCCS1.
What is the InChIKey of N-methyl-1-(2-methylthiolan-2-yl)hex-5-en-1-amine?
The InChIKey is FPTFOFAOSZSEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-4-5-6-8-11(13-3)12(2)9-7-10-14-12/h4,11,13H,1,5-10H2,2-3H3.
What are the key properties of N-methyl-1-(2-methylthiolan-2-yl)hex-5-en-1-amine?
N-methyl-1-(2-methylthiolan-2-yl)hex-5-en-1-amine has a molecular weight of 213.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylthiolan-2-yl)hex-5-en-1-amine is sourced from PubChem (CID 105153176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).