N-butan-2-yl-1-methyl-N-propylthiolan-1-amine

C12H27NS — CID 130247974

IUPACN-butan-2-yl-1-methyl-N-propylthiolan-1-amine
SMILESCCCN(C(C)CC)S1(C)CCCC1
InChIInChI=1S/C12H27NS/c1-5-9-13(12(3)6-2)14(4)10-7-8-11-14/h12H,5-11H2,1-4H3
InChIKeyNSJIRHDJGGPCAK-UHFFFAOYSA-N
MW217.42 g/mol
LogP3.64
Rot. Bonds5

About N-butan-2-yl-1-methyl-N-propylthiolan-1-amine

N-butan-2-yl-1-methyl-N-propylthiolan-1-amine (PubChem CID 130247974) has the molecular formula C12H27NS and a molecular weight of 217.42 g/mol. Its IUPAC name is N-butan-2-yl-1-methyl-N-propylthiolan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-1-methyl-N-propylthiolan-1-amine
PubChem CID130247974
Molecular FormulaC12H27NS
Molecular Weight217.42 g/mol
Exact Mass217.19
IUPAC NameN-butan-2-yl-1-methyl-N-propylthiolan-1-amine
SMILESCCCN(C(C)CC)S1(C)CCCC1
InChIInChI=1S/C12H27NS/c1-5-9-13(12(3)6-2)14(4)10-7-8-11-14/h12H,5-11H2,1-4H3
InChIKeyNSJIRHDJGGPCAK-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dipropylbutan-2-amine
CID 524229
N-butan-2-yl-N-propylsiletan-1-amine
CID 123636907
N-methylsilyl-N-propylbutan-2-amine
CID 123448090
N,N-dipropylbutan-2-amine;ethane;propane
CID 143577846
N-[bis(dipropylamino)-ethenylsilyl]-N-propylpropan-1-amine
CID 87131781
[butan-2-yl(propyl)amino]methanethiol
CID 142982154
N-butan-2-yl-2-methyl-N-propylbutan-1-amine
CID 176917771
N-[[[(dipropylamino)-di(propan-2-yl)silyl]-propylamino]-di(propan-2-yl)silyl]-N-propylpropan-1-amine
CID 156755962
3-butan-2-yl-1,1-dipropylurea
CID 17217773
methane;2-methylbutane;N-methyl-N-propylpropan-1-amine
CID 143703435
1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine
CID 141222296
1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60662129

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-methyl-N-propylthiolan-1-amine?
The IUPAC name of N-butan-2-yl-1-methyl-N-propylthiolan-1-amine (CID 130247974) is N-butan-2-yl-1-methyl-N-propylthiolan-1-amine.
What is the SMILES notation for N-butan-2-yl-1-methyl-N-propylthiolan-1-amine?
The canonical SMILES for N-butan-2-yl-1-methyl-N-propylthiolan-1-amine is CCCN(C(C)CC)S1(C)CCCC1.
What is the InChIKey of N-butan-2-yl-1-methyl-N-propylthiolan-1-amine?
The InChIKey is NSJIRHDJGGPCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NS/c1-5-9-13(12(3)6-2)14(4)10-7-8-11-14/h12H,5-11H2,1-4H3.
What are the key properties of N-butan-2-yl-1-methyl-N-propylthiolan-1-amine?
N-butan-2-yl-1-methyl-N-propylthiolan-1-amine has a molecular weight of 217.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-methyl-N-propylthiolan-1-amine is sourced from PubChem (CID 130247974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).