2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine

C12H26N2OS — CID 66218624

IUPAC2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine
SMILESCC(C)CN1CCOC(CSC(C)CN)C1
InChIInChI=1S/C12H26N2OS/c1-10(2)7-14-4-5-15-12(8-14)9-16-11(3)6-13/h10-12H,4-9,13H2,1-3H3
InChIKeyPQDYAZAGGDNPRF-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.42
Rot. Bonds6

About 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine

2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine (PubChem CID 66218624) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine
PubChem CID66218624
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine
SMILESCC(C)CN1CCOC(CSC(C)CN)C1
InChIInChI=1S/C12H26N2OS/c1-10(2)7-14-4-5-15-12(8-14)9-16-11(3)6-13/h10-12H,4-9,13H2,1-3H3
InChIKeyPQDYAZAGGDNPRF-UHFFFAOYSA-N
XLogP1.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[4-(2-methylpropyl)morpholin-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398613
(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
2-(azetidin-3-ylmethylsulfanylmethyl)-4-(2-methylpropyl)morpholine
CID 66290127
3-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-ol
CID 66115449
2-methyl-6-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]aniline
CID 79146285
[4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine
CID 131115606
N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
4-methyl-5-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]-1,2,4-triazol-3-amine
CID 61468544
4-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]phenol
CID 54911442
2-(oxolan-2-ylmethylsulfanyl)propan-1-amine
CID 66242081
2-[(3,5-dimethylpiperazin-1-yl)methyl]-4-(2-methylpropyl)morpholine
CID 63871997
[4-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperazin-2-yl]methanamine
CID 80506904

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine?
The IUPAC name of 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine (CID 66218624) is 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine.
What is the SMILES notation for 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine?
The canonical SMILES for 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine is CC(C)CN1CCOC(CSC(C)CN)C1.
What is the InChIKey of 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine?
The InChIKey is PQDYAZAGGDNPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-10(2)7-14-4-5-15-12(8-14)9-16-11(3)6-13/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine?
2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine has a molecular weight of 246.42 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine is sourced from PubChem (CID 66218624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).