(1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine

C9H18N2 — CID 155648652

IUPAC(1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine
SMILESCC(C)N1CC2C[C@@H](N)[C@@H]1C2
InChIInChI=1S/C9H18N2/c1-6(2)11-5-7-3-8(10)9(11)4-7/h6-9H,3-5,10H2,1-2H3/t7?,8-,9+/m1/s1
InChIKeyRLFALCGTWWLNKY-ASODMVGOSA-N
MW154.26 g/mol
LogP0.82
Rot. Bonds1

About (1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine

(1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine (PubChem CID 155648652) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine.

Molecular Properties

Compound Name(1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine
PubChem CID155648652
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine
SMILESCC(C)N1CC2C[C@@H](N)[C@@H]1C2
InChIInChI=1S/C9H18N2/c1-6(2)11-5-7-3-8(10)9(11)4-7/h6-9H,3-5,10H2,1-2H3/t7?,8-,9+/m1/s1
InChIKeyRLFALCGTWWLNKY-ASODMVGOSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine
CID 129231151
1-(6-amino-2-azabicyclo[2.2.1]heptan-2-yl)-2-methylpentan-1-one
CID 165463112
(1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine
CID 172546338
2-(2-methylbutan-2-yl)-2-azabicyclo[2.2.1]heptan-6-amine
CID 155370671
(2R,4R)-2-ethyl-4-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 174029945
6-propan-2-yl-3-thia-6-azabicyclo[3.2.1]octane
CID 176597024
(1S,5S,8S)-6-propan-2-yl-6-azabicyclo[3.2.1]octan-8-amine
CID 164821495
(1S,4R,6S)-2-methyl-2-azabicyclo[2.2.2]octan-6-amine
CID 129230741
6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane
CID 171591162
2-methyl-2-azabicyclo[2.2.2]octan-6-amine
CID 55285034
(9-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.2]nonan-3-yl)methanethiol
CID 155220445
3,6-di(propan-2-yl)-6-azabicyclo[3.2.0]heptane
CID 171046370

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine?
The IUPAC name of (1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine (CID 155648652) is (1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine.
What is the SMILES notation for (1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine?
The canonical SMILES for (1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine is CC(C)N1CC2C[C@@H](N)[C@@H]1C2.
What is the InChIKey of (1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine?
The InChIKey is RLFALCGTWWLNKY-ASODMVGOSA-N. The full InChI is InChI=1S/C9H18N2/c1-6(2)11-5-7-3-8(10)9(11)4-7/h6-9H,3-5,10H2,1-2H3/t7?,8-,9+/m1/s1.
What are the key properties of (1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine?
(1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine has a molecular weight of 154.26 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-6-amine is sourced from PubChem (CID 155648652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).