(1S,2S)-1-(aminomethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

C15H29NO — CID 166063174

IUPAC(1S,2S)-1-(aminomethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
SMILESCC1(C)CCCC2(C)C1CC[C@](C)(O)[C@@H]2CN
InChIInChI=1S/C15H29NO/c1-13(2)7-5-8-14(3)11(13)6-9-15(4,17)12(14)10-16/h11-12,17H,5-10,16H2,1-4H3/t11?,12-,14?,15+/m1/s1
InChIKeyMFZXONGFUKJZAA-NREAYKGKSA-N
MW239.40 g/mol
LogP2.94
Rot. Bonds1

About (1S,2S)-1-(aminomethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

(1S,2S)-1-(aminomethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol (PubChem CID 166063174) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (1S,2S)-1-(aminomethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-(aminomethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
PubChem CID166063174
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(1S,2S)-1-(aminomethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
SMILESCC1(C)CCCC2(C)C1CC[C@](C)(O)[C@@H]2CN
InChIInChI=1S/C15H29NO/c1-13(2)7-5-8-14(3)11(13)6-9-15(4,17)12(14)10-16/h11-12,17H,5-10,16H2,1-4H3/t11?,12-,14?,15+/m1/s1
InChIKeyMFZXONGFUKJZAA-NREAYKGKSA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(aminomethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
The IUPAC name of (1S,2S)-1-(aminomethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol (CID 166063174) is (1S,2S)-1-(aminomethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol.
What is the SMILES notation for (1S,2S)-1-(aminomethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
The canonical SMILES for (1S,2S)-1-(aminomethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol is CC1(C)CCCC2(C)C1CC[C@](C)(O)[C@@H]2CN.
What is the InChIKey of (1S,2S)-1-(aminomethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
The InChIKey is MFZXONGFUKJZAA-NREAYKGKSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(2)7-5-8-14(3)11(13)6-9-15(4,17)12(14)10-16/h11-12,17H,5-10,16H2,1-4H3/t11?,12-,14?,15+/m1/s1.
What are the key properties of (1S,2S)-1-(aminomethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
(1S,2S)-1-(aminomethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol has a molecular weight of 239.40 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(aminomethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 166063174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).