(1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine

C9H18N2 — CID 164821448

IUPAC(1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine
SMILESCC(C)N1[C@H]2CC[C@@H]1[C@H](N)C2
InChIInChI=1S/C9H18N2/c1-6(2)11-7-3-4-9(11)8(10)5-7/h6-9H,3-5,10H2,1-2H3/t7-,8+,9+/m0/s1
InChIKeyRZHQUCZKCGKRNC-DJLDLDEBSA-N
MW154.26 g/mol
LogP0.96
Rot. Bonds1

About (1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine

(1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine (PubChem CID 164821448) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine
PubChem CID164821448
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine
SMILESCC(C)N1[C@H]2CC[C@@H]1[C@H](N)C2
InChIInChI=1S/C9H18N2/c1-6(2)11-7-3-4-9(11)8(10)5-7/h6-9H,3-5,10H2,1-2H3/t7-,8+,9+/m0/s1
InChIKeyRZHQUCZKCGKRNC-DJLDLDEBSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine (CID 164821448) is (1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine is CC(C)N1[C@H]2CC[C@@H]1[C@H](N)C2.
What is the InChIKey of (1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine?
The InChIKey is RZHQUCZKCGKRNC-DJLDLDEBSA-N. The full InChI is InChI=1S/C9H18N2/c1-6(2)11-7-3-4-9(11)8(10)5-7/h6-9H,3-5,10H2,1-2H3/t7-,8+,9+/m0/s1.
What are the key properties of (1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine?
(1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine has a molecular weight of 154.26 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 164821448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).