3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine

C14H27NS — CID 80627297

IUPAC3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine
SMILESC=C(CC)CC(NCCC)C1CCCCS1
InChIInChI=1S/C14H27NS/c1-4-9-15-13(11-12(3)5-2)14-8-6-7-10-16-14/h13-15H,3-11H2,1-2H3
InChIKeyGOVFCRKRZLMTPE-UHFFFAOYSA-N
MW241.44 g/mol
LogP4.00
Rot. Bonds7

About 3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine

3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine (PubChem CID 80627297) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine.

Molecular Properties

Compound Name3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine
PubChem CID80627297
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine
SMILESC=C(CC)CC(NCCC)C1CCCCS1
InChIInChI=1S/C14H27NS/c1-4-9-15-13(11-12(3)5-2)14-8-6-7-10-16-14/h13-15H,3-11H2,1-2H3
InChIKeyGOVFCRKRZLMTPE-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 54.00
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

3-methylidene-N-propyl-1-(thiolan-2-yl)pentan-1-amine
CID 80626543
N-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine
CID 80621672
1-(1,4-dithian-2-yl)-3-methylidene-N-propylpentan-1-amine
CID 79966723
5-methyl-N-propyl-1-(thian-2-yl)hexan-1-amine
CID 83161177
4,4,4-trifluoro-N-propyl-1-(thian-2-yl)butan-1-amine
CID 80626408
1-(2-methylcyclopentyl)-3-methylidene-N-propylpentan-1-amine
CID 107189799
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylidene-N-propylpentan-1-amine
CID 105005744
3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 66037811
N-[2-(3,5-dimethylphenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626607
3-methyl-N-propyl-1-(thiolan-2-yl)hexan-1-amine
CID 80627756
N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine
CID 80627873
N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80626191

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine?
The IUPAC name of 3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine (CID 80627297) is 3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine.
What is the SMILES notation for 3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine?
The canonical SMILES for 3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine is C=C(CC)CC(NCCC)C1CCCCS1.
What is the InChIKey of 3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine?
The InChIKey is GOVFCRKRZLMTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-4-9-15-13(11-12(3)5-2)14-8-6-7-10-16-14/h13-15H,3-11H2,1-2H3.
What are the key properties of 3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine?
3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine has a molecular weight of 241.44 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-N-propyl-1-(thian-2-yl)pentan-1-amine is sourced from PubChem (CID 80627297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).