N-propan-2-yl-N-(thiocan-4-ylmethyl)propan-1-amine

C14H29NS — CID 170669214

IUPACN-propan-2-yl-N-(thiocan-4-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCCSCC1)C(C)C
InChIInChI=1S/C14H29NS/c1-4-9-15(13(2)3)12-14-7-5-6-10-16-11-8-14/h13-14H,4-12H2,1-3H3
InChIKeyUZRFJRQEFQLDIH-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.03
Rot. Bonds5

About N-propan-2-yl-N-(thiocan-4-ylmethyl)propan-1-amine

N-propan-2-yl-N-(thiocan-4-ylmethyl)propan-1-amine (PubChem CID 170669214) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is N-propan-2-yl-N-(thiocan-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(thiocan-4-ylmethyl)propan-1-amine
PubChem CID170669214
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC NameN-propan-2-yl-N-(thiocan-4-ylmethyl)propan-1-amine
SMILESCCCN(CC1CCCCSCC1)C(C)C
InChIInChI=1S/C14H29NS/c1-4-9-15(13(2)3)12-14-7-5-6-10-16-11-8-14/h13-14H,4-12H2,1-3H3
InChIKeyUZRFJRQEFQLDIH-UHFFFAOYSA-N
XLogP4.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(thiocan-4-ylmethyl)propan-1-amine?
The IUPAC name of N-propan-2-yl-N-(thiocan-4-ylmethyl)propan-1-amine (CID 170669214) is N-propan-2-yl-N-(thiocan-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-propan-2-yl-N-(thiocan-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-propan-2-yl-N-(thiocan-4-ylmethyl)propan-1-amine is CCCN(CC1CCCCSCC1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(thiocan-4-ylmethyl)propan-1-amine?
The InChIKey is UZRFJRQEFQLDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-4-9-15(13(2)3)12-14-7-5-6-10-16-11-8-14/h13-14H,4-12H2,1-3H3.
What are the key properties of N-propan-2-yl-N-(thiocan-4-ylmethyl)propan-1-amine?
N-propan-2-yl-N-(thiocan-4-ylmethyl)propan-1-amine has a molecular weight of 243.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(thiocan-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 170669214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).