(1S,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

C11H20N2 — CID 98110540

IUPAC(1S,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1C[C@@H]2CC[C@@H](C1)N2CC1CC1
InChIInChI=1S/C11H20N2/c12-9-5-10-3-4-11(6-9)13(10)7-8-1-2-8/h8-11H,1-7,12H2/t10-,11-/m0/s1
InChIKeyXVNCEYGZCTXFSZ-QWRGUYRKSA-N
MW180.29 g/mol
LogP1.35
Rot. Bonds2

About (1S,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

(1S,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 98110540) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (1S,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1S,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID98110540
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(1S,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1C[C@@H]2CC[C@@H](C1)N2CC1CC1
InChIInChI=1S/C11H20N2/c12-9-5-10-3-4-11(6-9)13(10)7-8-1-2-8/h8-11H,1-7,12H2/t10-,11-/m0/s1
InChIKeyXVNCEYGZCTXFSZ-QWRGUYRKSA-N
XLogP1.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 98110543
8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62738482
8-[(3-methylcyclopentyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 107415395
8-[(1-methylpyrrolidin-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62739495
3-(8-azabicyclo[3.2.1]octan-8-ylmethyl)cyclobutan-1-amine
CID 164652529
8-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 70332467
8-(thian-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 80613025
8-(trimethylsilylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 164655648
8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63770465
N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62738650
8-(1-oxaspiro[4.4]nonan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 102899377
8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61234446

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1S,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 98110540) is (1S,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1S,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1S,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is NC1C[C@@H]2CC[C@@H](C1)N2CC1CC1.
What is the InChIKey of (1S,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is XVNCEYGZCTXFSZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H20N2/c12-9-5-10-3-4-11(6-9)13(10)7-8-1-2-8/h8-11H,1-7,12H2/t10-,11-/m0/s1.
What are the key properties of (1S,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
(1S,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 180.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 98110540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).