(6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol

C15H29NO — CID 98442571

IUPAC(6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol
SMILESC[C@@H](CCCC(C)(C)O)N[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C15H29NO/c1-11(5-4-8-15(2,3)17)16-14-10-12-6-7-13(14)9-12/h11-14,16-17H,4-10H2,1-3H3/t11-,12-,13-,14+/m0/s1
InChIKeyUMCMZLWKTDRKEK-XDQVBPFNSA-N
MW239.40 g/mol
LogP3.09
Rot. Bonds6

About (6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol

(6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol (PubChem CID 98442571) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol.

Molecular Properties

Compound Name(6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol
PubChem CID98442571
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol
SMILESC[C@@H](CCCC(C)(C)O)N[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C15H29NO/c1-11(5-4-8-15(2,3)17)16-14-10-12-6-7-13(14)9-12/h11-14,16-17H,4-10H2,1-3H3/t11-,12-,13-,14+/m0/s1
InChIKeyUMCMZLWKTDRKEK-XDQVBPFNSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol with MolForge

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Related Compounds

N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 61309535
N-(4-methylsulfanylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 115886386
3-(2-bicyclo[2.2.1]heptanylamino)-N-methylbutanamide
CID 115891278
tert-butyl N-[2-(2-bicyclo[2.2.1]heptanylamino)propyl]carbamate
CID 103390066
3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide
CID 77045511
(1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 124526685
N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine
CID 61308965
(1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 98111949
N-octan-4-ylbicyclo[2.2.1]heptan-2-amine
CID 106023375
(2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
CID 98118353
(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

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol?
The IUPAC name of (6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol (CID 98442571) is (6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol.
What is the SMILES notation for (6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol?
The canonical SMILES for (6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol is C[C@@H](CCCC(C)(C)O)N[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol?
The InChIKey is UMCMZLWKTDRKEK-XDQVBPFNSA-N. The full InChI is InChI=1S/C15H29NO/c1-11(5-4-8-15(2,3)17)16-14-10-12-6-7-13(14)9-12/h11-14,16-17H,4-10H2,1-3H3/t11-,12-,13-,14+/m0/s1.
What are the key properties of (6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol?
(6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol has a molecular weight of 239.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylheptan-2-ol is sourced from PubChem (CID 98442571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).