(3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol;propane

C14H29NO — CID 145166315

IUPAC(3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol;propane
SMILESCCC.C[C@@H]1CCC=C1N(C)[C@@H](C)CCO
InChIInChI=1S/C11H21NO.C3H8/c1-9-5-4-6-11(9)12(3)10(2)7-8-13;1-3-2/h6,9-10,13H,4-5,7-8H2,1-3H3;3H2,1-2H3/t9-,10+;/m1./s1
InChIKeyUEFFYDCZEJPCKH-UXQCFNEQSA-N
MW227.39 g/mol
LogP3.42
Rot. Bonds4

About (3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol;propane

(3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol;propane (PubChem CID 145166315) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol;propane.

Molecular Properties

Compound Name(3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol;propane
PubChem CID145166315
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol;propane
SMILESCCC.C[C@@H]1CCC=C1N(C)[C@@H](C)CCO
InChIInChI=1S/C11H21NO.C3H8/c1-9-5-4-6-11(9)12(3)10(2)7-8-13;1-3-2/h6,9-10,13H,4-5,7-8H2,1-3H3;3H2,1-2H3/t9-,10+;/m1./s1
InChIKeyUEFFYDCZEJPCKH-UXQCFNEQSA-N
XLogP3.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]ethanol
CID 20655774
3-[[Cyclohexen-1-yl(methyl)amino]-methylamino]-2-methylbutan-1-ol
CID 68213091
(E)-5-amino-1-[di(propan-2-yl)amino]-2-methylhex-4-en-1-ol
CID 89073938
1-(7-Azabicyclo[2.2.1]hept-1-en-7-yl)-3-methylpentan-1-ol
CID 91568160
(3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol
CID 145166316

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol;propane?
The IUPAC name of (3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol;propane (CID 145166315) is (3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol;propane.
What is the SMILES notation for (3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol;propane?
The canonical SMILES for (3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol;propane is CCC.C[C@@H]1CCC=C1N(C)[C@@H](C)CCO.
What is the InChIKey of (3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol;propane?
The InChIKey is UEFFYDCZEJPCKH-UXQCFNEQSA-N. The full InChI is InChI=1S/C11H21NO.C3H8/c1-9-5-4-6-11(9)12(3)10(2)7-8-13;1-3-2/h6,9-10,13H,4-5,7-8H2,1-3H3;3H2,1-2H3/t9-,10+;/m1./s1.
What are the key properties of (3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol;propane?
(3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol;propane has a molecular weight of 227.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol;propane is sourced from PubChem (CID 145166315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).