(5S)-8-cyclopropyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane

C14H25N — CID 170928344

IUPAC(5S)-8-cyclopropyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane
SMILESCC(C)CC1CC2CC[C@@H](C1)N2C1CC1
InChIInChI=1S/C14H25N/c1-10(2)7-11-8-13-5-6-14(9-11)15(13)12-3-4-12/h10-14H,3-9H2,1-2H3/t11?,13-,14?/m0/s1
InChIKeyKVIYYLZADCKREK-QRMWWUJWSA-N
MW207.36 g/mol
LogP3.44
Rot. Bonds3

About (5S)-8-cyclopropyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane

(5S)-8-cyclopropyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane (PubChem CID 170928344) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (5S)-8-cyclopropyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(5S)-8-cyclopropyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane
PubChem CID170928344
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(5S)-8-cyclopropyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane
SMILESCC(C)CC1CC2CC[C@@H](C1)N2C1CC1
InChIInChI=1S/C14H25N/c1-10(2)7-11-8-13-5-6-14(9-11)15(13)12-3-4-12/h10-14H,3-9H2,1-2H3/t11?,13-,14?/m0/s1
InChIKeyKVIYYLZADCKREK-QRMWWUJWSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]propane-2-thiol
CID 146618098
3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;hydrochloride
CID 126845696
(3aS,6aR)-2-methyl-5-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 118457215
1-[3-(2-methylpropyl)cyclohexyl]azetidin-3-amine
CID 107429401
5-(2-methylpropyl)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 146572479
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
methane;2-methylpropylcyclopentane
CID 161254337
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
5-cyclobutyl-5-azabicyclo[2.1.1]hexane
CID 23151373
N,2,6-trimethyl-4-(2-methylpropyl)cyclohexan-1-amine
CID 144523247
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
1-(2-methylpropyl)-3-propan-2-yloxycyclobutane
CID 153444524

Frequently Asked Questions

What is the IUPAC name of (5S)-8-cyclopropyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of (5S)-8-cyclopropyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane (CID 170928344) is (5S)-8-cyclopropyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (5S)-8-cyclopropyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (5S)-8-cyclopropyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane is CC(C)CC1CC2CC[C@@H](C1)N2C1CC1.
What is the InChIKey of (5S)-8-cyclopropyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is KVIYYLZADCKREK-QRMWWUJWSA-N. The full InChI is InChI=1S/C14H25N/c1-10(2)7-11-8-13-5-6-14(9-11)15(13)12-3-4-12/h10-14H,3-9H2,1-2H3/t11?,13-,14?/m0/s1.
What are the key properties of (5S)-8-cyclopropyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane?
(5S)-8-cyclopropyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 207.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-8-cyclopropyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 170928344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).