4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol

C15H29NOS — CID 64807801

IUPAC4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)SCC1CCCC1
InChIInChI=1S/C15H29NOS/c1-12(18-10-13-5-3-4-6-13)9-15(2,11-17)16-14-7-8-14/h12-14,16-17H,3-11H2,1-2H3
InChIKeyHXGMFKSIWMVWIK-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.19
Rot. Bonds8

About 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol

4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol (PubChem CID 64807801) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol
PubChem CID64807801
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)SCC1CCCC1
InChIInChI=1S/C15H29NOS/c1-12(18-10-13-5-3-4-6-13)9-15(2,11-17)16-14-7-8-14/h12-14,16-17H,3-11H2,1-2H3
InChIKeyHXGMFKSIWMVWIK-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64807799
ethyl 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentanoate
CID 64704947
6-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64806770
2-amino-4-(cyclopentylmethylsulfanyl)-2-methylpentanenitrile
CID 64711370
ethyl 4-(cyclopentylmethylsulfanyl)-2-methyl-2-(methylamino)pentanoate
CID 64704550
3-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64787635
5-(cyclopentylmethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64806135
2-(cyclopropylamino)-4-methyl-2-(2-methylpropyl)pentan-1-ol
CID 114868630
3-cyclopentyloxy-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64802401
2-(cyclopropylamino)-2-methyl-4-pyridin-2-ylsulfanylpentan-1-ol
CID 64808268
2-(cyclopropylamino)-4-(3-hydroxypropylsulfanyl)-2-methylpentanenitrile
CID 66127896
4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64806975

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol?
The IUPAC name of 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol (CID 64807801) is 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol?
The canonical SMILES for 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol is CC(CC(C)(CO)NC1CC1)SCC1CCCC1.
What is the InChIKey of 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol?
The InChIKey is HXGMFKSIWMVWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-12(18-10-13-5-3-4-6-13)9-15(2,11-17)16-14-7-8-14/h12-14,16-17H,3-11H2,1-2H3.
What are the key properties of 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol?
4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol has a molecular weight of 271.47 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 64807801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).