(1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine

C12H23N — CID 124526685

IUPAC(1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)[C@@H](C)N[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C12H23N/c1-8(2)9(3)13-12-7-10-4-5-11(12)6-10/h8-13H,4-7H2,1-3H3/t9-,10+,11+,12+/m1/s1
InChIKeySCQPNHBDFCWGNA-RHYQMDGZSA-N
MW181.32 g/mol
LogP2.81
Rot. Bonds3

About (1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine

(1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 124526685) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine
PubChem CID124526685
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)[C@@H](C)N[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C12H23N/c1-8(2)9(3)13-12-7-10-4-5-11(12)6-10/h8-13H,4-7H2,1-3H3/t9-,10+,11+,12+/m1/s1
InChIKeySCQPNHBDFCWGNA-RHYQMDGZSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine
CID 61308965
N-(1-ethoxy-3-methylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 103271671
2-(2-bicyclo[2.2.1]heptanylamino)-N-methylpropanamide
CID 61464603
3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide
CID 77045511
N-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 115886386
N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 61309535
(1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 138991134
1-(2-bicyclo[2.2.1]heptanylamino)-3-methylbutan-2-ol
CID 115886357
(2R)-2-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 98119446
(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
CID 124526679
N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61309333
3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide
CID 115891278

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine (CID 124526685) is (1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine is CC(C)[C@@H](C)N[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is SCQPNHBDFCWGNA-RHYQMDGZSA-N. The full InChI is InChI=1S/C12H23N/c1-8(2)9(3)13-12-7-10-4-5-11(12)6-10/h8-13H,4-7H2,1-3H3/t9-,10+,11+,12+/m1/s1.
What are the key properties of (1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine?
(1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 124526685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).