N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine

C12H23NS — CID 105164036

IUPACN-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine
SMILESC=C(CC)CC(NC)C1(C)CCCS1
InChIInChI=1S/C12H23NS/c1-5-10(2)9-11(13-4)12(3)7-6-8-14-12/h11,13H,2,5-9H2,1,3-4H3
InChIKeyXZTDNBCIBCINMF-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.22
Rot. Bonds5

About N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine

N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine (PubChem CID 105164036) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine
PubChem CID105164036
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine
SMILESC=C(CC)CC(NC)C1(C)CCCS1
InChIInChI=1S/C12H23NS/c1-5-10(2)9-11(13-4)12(3)7-6-8-14-12/h11,13H,2,5-9H2,1,3-4H3
InChIKeyXZTDNBCIBCINMF-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,5S)-3-methylidene-2-(2-methylsulfanylethyl)-5-propylpyrrolidine
CID 118562801
4-[amino(cyclobuten-1-yl)methyl]-N-methylthiolan-3-amine
CID 130220826
3-tert-butyl-2-methyl-6-propan-2-yl-3,3a,4,6a-tetrahydro-2H-thieno[3,2-b]pyrrole
CID 132147807
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-(3-methyl-2-methylidenebutyl)thiolan-3-amine
CID 163708929
6,6,7-trimethyl-N-(3-methyl-3-methylsulfanylbutan-2-yl)oct-7-en-3-amine
CID 166919209
N-ethenyl-5-hex-5-enyl-4-methylthiolan-3-amine
CID 169898049
1-ethylsulfanyl-N-methyl-4-methylidenehexan-2-amine
CID 66038764
N-methyl-4-methylidene-1-propylsulfanylhexan-2-amine
CID 66039001
N-methyl-4-methylidene-1-propan-2-ylsulfanylhexan-2-amine
CID 66039242
1-tert-butylsulfanyl-N-methyl-4-methylidenehexan-2-amine
CID 66039481
1-butan-2-ylsulfanyl-N-methyl-4-methylidenehexan-2-amine
CID 66039957

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine?
The IUPAC name of N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine (CID 105164036) is N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine.
What is the SMILES notation for N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine?
The canonical SMILES for N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine is C=C(CC)CC(NC)C1(C)CCCS1.
What is the InChIKey of N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine?
The InChIKey is XZTDNBCIBCINMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-5-10(2)9-11(13-4)12(3)7-6-8-14-12/h11,13H,2,5-9H2,1,3-4H3.
What are the key properties of N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine?
N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine has a molecular weight of 213.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine is sourced from PubChem (CID 105164036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).