(1R)-6-[(tert-butylamino)methyl]-1,2,3,4,5,6-hexahydronaphthalen-1-amine

C15H26N2 — CID 70853626

IUPAC(1R)-6-[(tert-butylamino)methyl]-1,2,3,4,5,6-hexahydronaphthalen-1-amine
SMILESCC(C)(C)NCC1C=CC2=C(CCC[C@H]2N)C1
InChIInChI=1S/C15H26N2/c1-15(2,3)17-10-11-7-8-13-12(9-11)5-4-6-14(13)16/h7-8,11,14,17H,4-6,9-10,16H2,1-3H3/t11?,14-/m1/s1
InChIKeySBLXZRFMLJTHDP-SBXXRYSUSA-N
MW234.39 g/mol
LogP2.76
Rot. Bonds2

About (1R)-6-[(tert-butylamino)methyl]-1,2,3,4,5,6-hexahydronaphthalen-1-amine

(1R)-6-[(tert-butylamino)methyl]-1,2,3,4,5,6-hexahydronaphthalen-1-amine (PubChem CID 70853626) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (1R)-6-[(tert-butylamino)methyl]-1,2,3,4,5,6-hexahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-6-[(tert-butylamino)methyl]-1,2,3,4,5,6-hexahydronaphthalen-1-amine
PubChem CID70853626
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(1R)-6-[(tert-butylamino)methyl]-1,2,3,4,5,6-hexahydronaphthalen-1-amine
SMILESCC(C)(C)NCC1C=CC2=C(CCC[C@H]2N)C1
InChIInChI=1S/C15H26N2/c1-15(2,3)17-10-11-7-8-13-12(9-11)5-4-6-14(13)16/h7-8,11,14,17H,4-6,9-10,16H2,1-3H3/t11?,14-/m1/s1
InChIKeySBLXZRFMLJTHDP-SBXXRYSUSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-6-[(tert-butylamino)methyl]-1,2,3,4,5,6-hexahydronaphthalen-1-amine?
The IUPAC name of (1R)-6-[(tert-butylamino)methyl]-1,2,3,4,5,6-hexahydronaphthalen-1-amine (CID 70853626) is (1R)-6-[(tert-butylamino)methyl]-1,2,3,4,5,6-hexahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-6-[(tert-butylamino)methyl]-1,2,3,4,5,6-hexahydronaphthalen-1-amine?
The canonical SMILES for (1R)-6-[(tert-butylamino)methyl]-1,2,3,4,5,6-hexahydronaphthalen-1-amine is CC(C)(C)NCC1C=CC2=C(CCC[C@H]2N)C1.
What is the InChIKey of (1R)-6-[(tert-butylamino)methyl]-1,2,3,4,5,6-hexahydronaphthalen-1-amine?
The InChIKey is SBLXZRFMLJTHDP-SBXXRYSUSA-N. The full InChI is InChI=1S/C15H26N2/c1-15(2,3)17-10-11-7-8-13-12(9-11)5-4-6-14(13)16/h7-8,11,14,17H,4-6,9-10,16H2,1-3H3/t11?,14-/m1/s1.
What are the key properties of (1R)-6-[(tert-butylamino)methyl]-1,2,3,4,5,6-hexahydronaphthalen-1-amine?
(1R)-6-[(tert-butylamino)methyl]-1,2,3,4,5,6-hexahydronaphthalen-1-amine has a molecular weight of 234.39 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-[(tert-butylamino)methyl]-1,2,3,4,5,6-hexahydronaphthalen-1-amine is sourced from PubChem (CID 70853626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).