2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine

C15H32N2S — CID 62262511

IUPAC2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine
SMILESCCCC(C)(CNCC(C)C)CN1CCSCC1
InChIInChI=1S/C15H32N2S/c1-5-6-15(4,12-16-11-14(2)3)13-17-7-9-18-10-8-17/h14,16H,5-13H2,1-4H3
InChIKeyBOUJTUJJHNEDFX-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.09
Rot. Bonds8

About 2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine

2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine (PubChem CID 62262511) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine
PubChem CID62262511
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC Name2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine
SMILESCCCC(C)(CNCC(C)C)CN1CCSCC1
InChIInChI=1S/C15H32N2S/c1-5-6-15(4,12-16-11-14(2)3)13-17-7-9-18-10-8-17/h14,16H,5-13H2,1-4H3
InChIKeyBOUJTUJJHNEDFX-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-methylpropyl)-2-(piperidin-1-ylmethyl)pentan-1-amine
CID 62264125
2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 62264057
2-methyl-N-(2-methylpropyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentan-1-amine
CID 66369812
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 104960621
2-[(3-methoxypyrrolidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 103539012
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-ethyl-2-methylpentan-1-amine
CID 107459397
N-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine
CID 62259536
2-methyl-N-(2-methylpropyl)-2-propylnonan-1-amine
CID 63509093
N',2-dimethyl-N-(2-methylpropyl)-2-propyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63211040
2-methyl-N-(2-methylpropyl)-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-1-amine
CID 114596717
2-methyl-N-(2-methylpropyl)-2-(1,4-oxazepan-4-ylmethyl)butan-1-amine
CID 55142489
2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 63624510

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine (CID 62262511) is 2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine is CCCC(C)(CNCC(C)C)CN1CCSCC1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine?
The InChIKey is BOUJTUJJHNEDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-5-6-15(4,12-16-11-14(2)3)13-17-7-9-18-10-8-17/h14,16H,5-13H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine?
2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine has a molecular weight of 272.50 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-2-(thiomorpholin-4-ylmethyl)pentan-1-amine is sourced from PubChem (CID 62262511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).