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

C11H22N2 — CID 175638463

IUPAC(2S,4S)-N-ethyl-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine
SMILESCCN[C@H]1C[C@@H]2CCC1N2C(C)C
InChIInChI=1S/C11H22N2/c1-4-12-10-7-9-5-6-11(10)13(9)8(2)3/h8-12H,4-7H2,1-3H3/t9-,10-,11?/m0/s1
InChIKeySHHPAQWGTRNIAN-QRHSGQBVSA-N
MW182.31 g/mol
LogP1.61
Rot. Bonds3

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

(2S,4S)-N-ethyl-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine (PubChem CID 175638463) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (2S,4S)-N-ethyl-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(2S,4S)-N-ethyl-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine
PubChem CID175638463
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(2S,4S)-N-ethyl-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine
SMILESCCN[C@H]1C[C@@H]2CCC1N2C(C)C
InChIInChI=1S/C11H22N2/c1-4-12-10-7-9-5-6-11(10)13(9)8(2)3/h8-12H,4-7H2,1-3H3/t9-,10-,11?/m0/s1
InChIKeySHHPAQWGTRNIAN-QRHSGQBVSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741048
2-fluoro-7-propan-2-yl-7-azabicyclo[2.2.1]heptane
CID 170676189
(1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine
CID 164821448
8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738418
8-(3,3-dimethylbutan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 104830045
(1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 164821408
(1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 170050723
8-(1-ethoxypropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740940
(1R,2S,3S,5S)-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-amine
CID 164821484
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919
3-ethyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonane
CID 126703648
N-ethyl-9-pentan-3-yl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105982

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-ethyl-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (2S,4S)-N-ethyl-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine (CID 175638463) is (2S,4S)-N-ethyl-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (2S,4S)-N-ethyl-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (2S,4S)-N-ethyl-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine is CCN[C@H]1C[C@@H]2CCC1N2C(C)C.
What is the InChIKey of (2S,4S)-N-ethyl-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine?
The InChIKey is SHHPAQWGTRNIAN-QRHSGQBVSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-12-10-7-9-5-6-11(10)13(9)8(2)3/h8-12H,4-7H2,1-3H3/t9-,10-,11?/m0/s1.
What are the key properties of (2S,4S)-N-ethyl-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine?
(2S,4S)-N-ethyl-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine has a molecular weight of 182.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-ethyl-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 175638463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).