4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine

C16H31NOS — CID 105156823

IUPAC4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine
SMILESCCCNC(CCC1CCCO1)CC1CCSCC1
InChIInChI=1S/C16H31NOS/c1-2-9-17-15(5-6-16-4-3-10-18-16)13-14-7-11-19-12-8-14/h14-17H,2-13H2,1H3
InChIKeyPCQOMCMIFSQRGA-UHFFFAOYSA-N
MW285.50 g/mol
LogP3.85
Rot. Bonds8

About 4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine

4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine (PubChem CID 105156823) has the molecular formula C16H31NOS and a molecular weight of 285.50 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine.

Molecular Properties

Compound Name4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine
PubChem CID105156823
Molecular FormulaC16H31NOS
Molecular Weight285.50 g/mol
Exact Mass285.21
IUPAC Name4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine
SMILESCCCNC(CCC1CCCO1)CC1CCSCC1
InChIInChI=1S/C16H31NOS/c1-2-9-17-15(5-6-16-4-3-10-18-16)13-14-7-11-19-12-8-14/h14-17H,2-13H2,1H3
InChIKeyPCQOMCMIFSQRGA-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
CID 65164444
1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164220
1-(oxan-2-yl)-N-propylhex-5-en-3-amine
CID 115815083
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 115821197
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 104986559
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506
4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine
CID 115846851
5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine
CID 105004924

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine?
The IUPAC name of 4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine (CID 105156823) is 4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine.
What is the SMILES notation for 4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine?
The canonical SMILES for 4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine is CCCNC(CCC1CCCO1)CC1CCSCC1.
What is the InChIKey of 4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine?
The InChIKey is PCQOMCMIFSQRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NOS/c1-2-9-17-15(5-6-16-4-3-10-18-16)13-14-7-11-19-12-8-14/h14-17H,2-13H2,1H3.
What are the key properties of 4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine?
4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine has a molecular weight of 285.50 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine is sourced from PubChem (CID 105156823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).